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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.50 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL407539 | 0.88 | ADRA2A (0.60) | CA2MTNR1AHTTHPGDRAB9A | |
| SCHEMBL568115 | 0.88 | ADRA2A (0.60) | CA2MTNR1AHTTHPGDRAB9A | |
| SCHEMBL3266284 | 0.88 | ADRA2A (0.60) | CA2MTNR1AHTTHPGDRAB9A | |
| SCHEMBL30640286 | 0.88 | ADRA2A (0.60) | CA2MTNR1AHTTHPGDRAB9A | |
| SCHEMBL9564923 | 0.85 | LMNA (0.62) | CA2MTNR1ALMNAHTTRAB9A | |
| SCHEMBL7884110 | 0.81 | CA2 (0.58) | CA2MTNR1ALMNAHTTSMN1; SMN2 | |
| SCHEMBL4957813 | 0.80 | MOGAT2 (0.52) | — | |
| SCHEMBL4957821 | 0.80 | MOGAT2 (0.52) | — | |
| SCHEMBL1021657 | 0.78 | HTR6 (0.52) | CA2MTNR1ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL16650080 | 0.78 | HTR6 (0.46) | CA2LMNASMN1; SMN2ALDH1A1POLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1029964-C | Novel N-(4-piperidinyl) Bicyclic condensed 2-imidazolamine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-10-11 | — | — | CN | disclosed |
| EP-0603314-A4 | CHEMICAL COMPOUNDS. | SMITHKLINE BEECHAM CORP (US) | 1994-08-24 | — | — | EP | disclosed |
| EP-0603314-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-29 | — | — | EP | disclosed |
| US-4826848-A | Antidepressive substituted N-[(4-piperidinyl)alkyl] bicyclic condensed oxazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-05-02 | — | — | US | disclosed |
| CN-88103784-A | N- (4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives | — | 1988-12-28 | — | — | CN | disclosed |
| US-4689330-A | PARKINSON DISEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-08-25 | — | — | US | disclosed |
| EP-0199400-A2 | Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-10-29 | — | — | EP | disclosed |
| US-4432984-A | Anti-hypertensive benzodioxan derivatives | Bouchara, Emile (FR) | 1984-02-21 | — | — | US | disclosed |