SCHEMBL10554284

SCHEMBL10554284

CC(Cc1c[nH]cn1)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
OGA O60502 7/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10551212 0.78 ALDH1A1 (0.39) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3745991 0.76 TAAR1 (0.47) CYP2D6CYP1A2CYP3A4TAAR1SLC6A2
SCHEMBL10551331 0.72 MAOA (0.44) TAAR1
SCHEMBL2618697 0.72 CYP2D6 (0.53) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22702810 0.71 MEN1 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11621846 0.70 TAAR1 (0.51) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3753050 0.70 PTGS1 (0.47)
SCHEMBL18898369 0.69 EDNRA (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22854153 0.69 MEN1 (0.52) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24199763 0.69 CYP1A2 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4639464-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1987-01-27 US claimed
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP claimed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 EP claimed
US-4826864-A Substituted imidazole derivatives useful as antihypertensive or antithromtic agent or divretic FARMOS GROUP LTD. (FI) 1989-05-02 US disclosed
US-4639464-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1987-01-27 US disclosed
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP disclosed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US disclosed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 EP disclosed