SCHEMBL8774506

SCHEMBL8774506

CC[C@H]1CC[C@H](c2ccc(C#Cc3cc(F)c(F)nc3Cl)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL8774514 1.00 FFAR1 (0.31) FFAR1TRPV3EGLN1EGLN3
SCHEMBL8774538 0.91 CYP2C9 (0.39) FFAR1
SCHEMBL8774534 0.91 CYP2C9 (0.39) FFAR1
SCHEMBL8774932 0.90 TRPV3 (0.32) FFAR1TRPV3EGLN1EGLN3
SCHEMBL8774936 0.90 TRPV3 (0.32) FFAR1TRPV3EGLN1EGLN3
SCHEMBL8775169 0.89 CYP2C9 (0.33)
SCHEMBL8775163 0.89 CYP2C9 (0.33)
SCHEMBL8774743 0.88 MAPT (0.34)
SCHEMBL8774749 0.88 MAPT (0.34)
SCHEMBL9158319 0.81 FFAR1 (0.32) FFAR1

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