SCHEMBL14219963

SCHEMBL14219963

CCCc1ccc(CCC2CCC(c3cc(F)c(C[C@H](C)c4ccccc4)c(F)c3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
POLB P06746 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
SCHEMBL14219933 1.00 MAOB (0.35) MAOBMAOAOPRM1OPRD1OPRK1
SCHEMBL14219970 0.94 MAOA (0.34) MAOBMAOAOPRM1OPRD1OPRK1
SCHEMBL14219577 0.94 MAOA (0.34) MAOBMAOAOPRM1OPRD1OPRK1
SCHEMBL14219965 0.93 MAOB (0.32) MAOBMAOAOPRM1OPRD1OPRK1
SCHEMBL14219571 0.93 MAOB (0.32) MAOBMAOAOPRM1OPRD1OPRK1
SCHEMBL14219948 0.93 POLB (0.38) MAOBPOLB
SCHEMBL14219938 0.93 POLB (0.38) MAOBPOLB
SCHEMBL14219454 0.91 SPHK1 (0.37) SIGMAR1POLB
SCHEMBL14219911 0.91 SPHK1 (0.37) SIGMAR1POLB
SCHEMBL14219946 0.91 HAT1 (0.34) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed