SCHEMBL10550592

SCHEMBL10550592

CCC(c1c[nH]cn1)c1cccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
ADRA1D P25100 2/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 1/20 0.38
HTR7 P34969 1/20 0.38
CYP19A1 P11511 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL29004013 0.89 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2100736 0.86 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1482897 0.85 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL32672846 0.83 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL8989314 0.83
Medetomidine SCHEMBL26432 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL18497244 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10550880 0.81 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL787913 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL119382 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B

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
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP claimed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US 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