SCHEMBL8989285

SCHEMBL8989285

Cc1cccc(C)c1C(C)c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
ADRA1D P25100 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.34
HTR7 P34969 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL10547435 0.84 ADRA2A (0.31) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL12092460 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL18497244 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL29431568 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL26432 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL787913 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL119382 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL14861666 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL14080529 0.81 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL22616139 0.81 ADRA2A (0.49) 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 10 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
EP-0719139-A1 USE OF CENTRALLY ACTIVE ALPHAAGONISTS FOR INHIBING POSTRAUMATIC METABOLIC STRESS Dr. Karl Thomae GmbH (DE) 1996-07-03 EP disclosed
WO-1995003798-A2 USE OF CENTRALLY EFFECTIVE α-2 AGONISTS FOR INHIBITING POSTAGGRESSION METABOLISM BOEHRINGER INGELHEIM INT (DE) 1995-02-09 WO disclosed
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