SCHEMBL9325930

SCHEMBL9325930

CCC1(c2cn(Cc3ccccc3)cn2)Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1B P35368 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
RIPK1 Q13546 2/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL9324684 0.86 HPGDS (0.40) HPGDSPHF8CYP3A4CYP2D6CYP2E1
SCHEMBL9325735 0.86 ADRA2A (0.42) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9326270 0.86 CDK5 (0.40) HPGDSPHF8CYP3A4CYP2D6CYP2E1
SCHEMBL9324722 0.83 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1BKDM5A
SCHEMBL27261091 0.80 HPGDS (0.39) HPGDSPHF8CYP3A4CYP2D6CYP2E1
SCHEMBL9325910 0.79 ADRA2A (0.43) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL9325707 0.75 CYP2E1 (0.35) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9325689 0.75 CYP2E1 (0.35) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9325876 0.73 CYP2E1 (0.34) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL31034870 0.73 FAAH (0.39) ADRA2AADRA2BADRA2CADRA1BPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372954-B1 Substituted imidazole derivatives and their preparation and use ORION YHTYMAE OY (FI) 1994-03-09 EP claimed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US claimed
EP-0372954-A1 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÀ„ OY (FI) 1990-06-13 EP claimed
EP-0372954-B1 Substituted imidazole derivatives and their preparation and use ORION YHTYMAE OY (FI) 1994-03-09 EP disclosed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed
EP-0372954-A1 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÀ„ OY (FI) 1990-06-13 EP disclosed