SCHEMBL9477243

SCHEMBL9477243

CCC[C@H]1CC[C@H](CCc2ccc(C=CF)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.35
CYP2C9 P11712 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TNNC1 P63316 1/20 0.32

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
SCHEMBL9477234 1.00 MAOB (0.40) MAOBMAOAHRH3CYP2C9GPR84
SCHEMBL9478751 0.91 MAOB (0.39) MAOBMAOAHRH3GPR84TNNC1
SCHEMBL9478757 0.91 MAOB (0.39) MAOBMAOAHRH3GPR84TNNC1
SCHEMBL9476473 0.91 MAOB (0.38) MAOBMAOAGPR84
SCHEMBL9476465 0.91 MAOB (0.38) MAOBMAOAGPR84
SCHEMBL9476691 0.90 MAOA (0.38) MAOBMAOAHRH3CYP2C9TNNC1
SCHEMBL9476700 0.90 MAOA (0.38) MAOBMAOAHRH3CYP2C9TNNC1
SCHEMBL9480091 0.88 TNNC1 (0.40) MAOBMAOACYP2C9TNNC1
SCHEMBL9480098 0.88 TNNC1 (0.40) MAOBMAOACYP2C9TNNC1
SCHEMBL8775452 0.87 MAOB (0.49) MAOBMAOAHRH3CYP2C9GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed