SCHEMBL8774639

SCHEMBL8774639

CCC1CCC(CCc2ccc(-c3cc(F)c(F)nc3Cl)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
FFAR4 Q5NUL3 7/20 0.33
TRPV3 Q8NET8 1/20 0.32
MAOB P27338 3/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31
BRS3 P32247 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
SCHEMBL8774629 1.00 GPR84 (0.34) GPR84FFAR4TRPV3MAOBMAOA
SCHEMBL8775154 0.93 GPR84 (0.34) GPR84FFAR4MAOBMAOACNR1
SCHEMBL8775158 0.93 GPR84 (0.34) GPR84FFAR4MAOBMAOACNR1
SCHEMBL8775095 0.91 GPR84 (0.36) GPR84FFAR4MAOBMAOA
SCHEMBL8775089 0.91 GPR84 (0.36) GPR84FFAR4MAOBMAOA
SCHEMBL8774400 0.90 RARB (0.36) GPR84FFAR4MAOBMAOA
SCHEMBL8774407 0.90 RARB (0.36) GPR84FFAR4MAOBMAOA
SCHEMBL8774623 0.89 GPR84 (0.36) GPR84FFAR4TRPV3MAOBMAOA
SCHEMBL8774619 0.89 GPR84 (0.36) GPR84FFAR4TRPV3MAOBMAOA
SCHEMBL8774681 0.83 TRPV3 (0.37) TRPV3

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