SCHEMBL8774613

SCHEMBL8774613

CCC1CCC(C(C)c2ccc(-c3cc(F)c(F)nc3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.37
IDH1 O75874 1/20 0.31
FFAR4 Q5NUL3 7/20 0.31
APP P05067 1/20 0.31
TRPV1 Q8NER1 3/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 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
SCHEMBL8774414 0.90 TRPV3 (0.32) TRPV3IDH1
SCHEMBL8774622 0.89 TRPV3 (0.35) TRPV3SCN5ASCN9A
SCHEMBL8774099 0.88 GAA (0.31)
SCHEMBL8774050 0.87 GAA (0.34)
SCHEMBL8775030 0.86 GAA (0.35)
SCHEMBL9253040 0.84 TRPV3 (0.33) TRPV3
SCHEMBL9158982 0.81 TRPV3 (0.32) TRPV3
SCHEMBL8774515 0.81 TRPV3 (0.39) TRPV3APP
SCHEMBL8774527 0.81 TRPV3 (0.39) TRPV3APP
SCHEMBL8775149 0.80 SLC6A2 (0.32) 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