SCHEMBL7911065

SCHEMBL7911065

CCC[C@H]1CC[C@H](C2CCC(CCc3ccc(-c4ccc(CF)cc4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
MAOA P21397 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
HRH3 Q9Y5N1 2/20 0.34
TLR4 O00206 2/20 0.34
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7911076 1.00 MAOB (0.40) MAOBMAOAGPR84HRH3TLR4
SCHEMBL7911073 1.00 MAOB (0.40) MAOBMAOAGPR84HRH3TLR4
SCHEMBL7916329 0.95 MAOB (0.42) MAOBMAOAGPR84HRH3TLR4
SCHEMBL7916332 0.95 MAOB (0.42) MAOBMAOAGPR84HRH3TLR4
SCHEMBL7916336 0.95 MAOB (0.42) MAOBMAOAGPR84HRH3TLR4
SCHEMBL7916343 0.95 MAOB (0.42) MAOBMAOAGPR84HRH3TLR4
SCHEMBL7909674 0.91 GPR84 (0.39) MAOBMAOAGPR84HRH3
SCHEMBL7909667 0.91 GPR84 (0.39) MAOBMAOAGPR84HRH3
SCHEMBL7909680 0.91 GPR84 (0.39) MAOBMAOAGPR84HRH3
SCHEMBL7902507 0.88 MAOB (0.38) MAOBMAOAGPR84HRH3TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed