SCHEMBL8767216

SCHEMBL8767216

Fc1cc(CC[C@H]2CC[C@H]([C@H]3CC[C@H](C4CCCC4)CC3)CC2)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
DAO P14920 4/20 0.35
PARP14 Q460N5 1/20 0.34
OPRL1 P41146 3/20 0.32
MAOB P27338 3/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
MAOA P21397 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL18464122 0.98 DAO (0.37) ALOX5DAOPARP14OPRL1MAOB
SCHEMBL21581487 0.95 MAOB (0.33) ALOX5DAOPARP14MAOBMAOA
SCHEMBL21581491 0.93 MAOB (0.33) DAOPARP14MAOBMAOANOS3
SCHEMBL21581467 0.92 DAO (0.35) ALOX5DAOPARP14OPRL1PDGFRB
SCHEMBL8767058 0.92 DAO (0.35) ALOX5DAOPARP14OPRL1PDGFRB
SCHEMBL21581488 0.90 MAOB (0.31) DAOMAOBMAOANOS3NOS1
SCHEMBL21581489 0.89 DAO (0.33) DAOPARP14
SCHEMBL9260065 0.87 DAO (0.44) DAOPARP14MAOBPDGFRBPDGFRA
SCHEMBL8768348 0.87 PARP14 (0.31) ALOX5PARP14
SCHEMBL8768343 0.87 PARP14 (0.31) ALOX5PARP14

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed