SCHEMBL8774623

SCHEMBL8774623

CCC1CCC(CCc2ccc(-c3cc(F)c(F)nc3F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.36
MAOB P27338 7/20 0.35
MAOA P21397 4/20 0.35
FFAR4 Q5NUL3 6/20 0.34
TRPV3 Q8NET8 1/20 0.33
BRS3 P32247 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
SCHEMBL8774619 1.00 GPR84 (0.36) GPR84MAOBMAOAFFAR4TRPV3
SCHEMBL8774417 0.92 MAOB (0.38) GPR84MAOBMAOAFFAR4BRS3
SCHEMBL8774424 0.92 MAOB (0.38) GPR84MAOBMAOAFFAR4BRS3
SCHEMBL8774107 0.90 GPR84 (0.38) GPR84MAOBMAOAFFAR4
SCHEMBL8774103 0.90 GPR84 (0.38) GPR84MAOBMAOAFFAR4
SCHEMBL8774053 0.89 RARB (0.38) GPR84MAOBMAOAFFAR4
SCHEMBL8774058 0.89 RARB (0.38) GPR84MAOBMAOAFFAR4
SCHEMBL8774629 0.89 GPR84 (0.34) GPR84MAOBMAOAFFAR4TRPV3
SCHEMBL8774639 0.89 GPR84 (0.34) GPR84MAOBMAOAFFAR4TRPV3
SCHEMBL8775034 0.88 RARB (0.40) GPR84MAOBMAOAFFAR4

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed