Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL8564335 | 1.00 | CA14 (0.37) | CA14DPP4TP53ENPEPPMP22 | |
| Hydrochloric Acid SCHEMBL27296913 | 0.97 | CA14 (0.36) | CA14DPP4TP53ENPEPPMP22 | |
| Sulfuric Acid SCHEMBL8412324 | 0.91 | TP53 (0.41) | CA14DPP4TP53ENPEPPMP22 | |
| Sulfuric Acid SCHEMBL8412325 | 0.91 | TP53 (0.41) | CA14DPP4TP53ENPEPPMP22 | |
| Isobutyramide SCHEMBL6490900 | 0.85 | CA14 (0.39) | CA14TP53ENPEPPMP22CA2 | |
| SCHEMBL43026 | 0.84 | — | — | |
| SCHEMBL47717 | 0.84 | — | — | |
| SCHEMBL180262 | 0.84 | — | — | |
| Alanine SCHEMBL17874434 | 0.82 | SLC7A5 (0.46) | DPP4TP53PMP22SLC7A5 | |
| Alanine SCHEMBL17874433 | 0.82 | SLC7A5 (0.46) | DPP4TP53PMP22SLC7A5 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643688-B1 | SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS | PHARMACIA & UPJOHN SPA (IT) | 1998-07-29 | — | — | EP | disclosed |
| CN-1035938-C | Substituted (arylalkoxybenzyl) aminopropanamide derivatives, their preparation and use as anti-epileptic, neuroprotective and antidepressant agents | PHARMACIA FRAMITALIA CARLO ERB (IT) | 1997-09-24 | — | — | CN | disclosed |
| CN-1104017-A | Substituted (arylalkoxybenzyl) aminopropanamide derivatives, their preparation and use as anti-epileptic, neuroprotective and antidepressant agents | ERBA FARMITALIA (IT) | 1995-06-21 | — | — | CN | disclosed |
| EP-0643688-A1 | SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 1995-03-22 | — | — | EP | disclosed |
| CN-1027588-C | Process for the preparation of N-phenylalkyl substituted alpha-aminocarboxamide derivatives | ERBA CARLO SPA (IT) | 1995-02-08 | — | — | CN | disclosed |
| WO-1994022808-A1 | SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS | FARMITALIA CARLO ERBA SRL (IT) | 1994-10-13 | — | — | WO | disclosed |
| CN-1047496-A | The preparation method of the alpha-amino group Carboxylamide derivatives that N-benzene alkyl replaces | ERBA CARLO SPA (IT) | 1990-12-05 | — | — | CN | disclosed |