Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL1591112 | 1.00 | — | — | |
| SCHEMBL43026 | 0.96 | — | — | |
| SCHEMBL180262 | 0.96 | — | — | |
| SCHEMBL47717 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL307082 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8740035 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL306844 | 0.92 | — | — | |
| Water SCHEMBL2541507 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8740034 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL306843 | 0.92 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1933622-B1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | SECOND GENOME INC (US) | 2016-03-09 | — | — | EP | disclosed |
| US-20110092476-A1 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. | 2011-04-21 | — | — | US | disclosed |
| US-7816371-B2 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. (US) | 2010-10-19 | — | — | US | disclosed |
| US-20100184802-A1 | Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof | RENOVIS, INC. | 2010-07-22 | — | — | US | disclosed |
| EP-1933622-A2 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | Renovis, Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007109201-A2 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109192-A2 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070225324-A1 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | SECOND GENOME, INC. | 2007-09-27 | — | — | US | disclosed |
| EP-0538297-B9 | ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES | JANSSEN PHARMACEUTICA NV (BE) | 2002-10-16 | — | — | EP | disclosed |
| EP-0538297-B1 | ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES | JANSSEN PHARMACEUTICA NV (BE) | 2001-09-19 | — | — | EP | disclosed |
| US-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |
| EP-0773930-B1 | AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS | ZENECA LTD (GB) | 2000-10-11 | — | — | EP | disclosed |
| US-5843942-A | Aromatic amino ethers as pain relieving agents | ZENECA LIMITED (GB) | 1998-12-01 | — | — | US | disclosed |
| EP-0773930-A1 | AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS | ZENECA LIMITED (GB) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996003380-A1 | AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS | ZENECA LIMITED (GB) | 1996-02-08 | — | — | WO | disclosed |
| US-5371079-A | Administering to inhibit replication of HIV-1 in human cells | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-12-06 | — | — | US | disclosed |
| US-5270464-A | Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-12-14 | — | — | US | disclosed |
| EP-0473700-A1 | AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES | NOVO NORDISK A/S (DK) | 1992-03-11 | — | — | EP | disclosed |
| WO-1992000979-A1 | ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-01-23 | — | — | WO | disclosed |
| WO-1990014429-A1 | AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES | NOVO NORDISK A/S (DK) | 1990-11-29 | — | — | WO | disclosed |