SCHEMBL8774622

SCHEMBL8774622

CCC1CCC(C(C)c2ccc(-c3cc(F)c(F)nc3Cl)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
CRHR1 P34998 1/20 0.30
GRM2 Q14416 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
SCHEMBL8775149 0.91 SLC6A2 (0.32) TRPV3SLC6A2SLC6A4SLC6A3CRHR1
SCHEMBL8774613 0.89 TRPV3 (0.37) TRPV3SCN5ASCN9A
SCHEMBL8774393 0.88 GAA (0.32) SLC6A2SLC6A4SLC6A3CRHR1
SCHEMBL8774676 0.82 TRPV3 (0.37) TRPV3
SCHEMBL8774681 0.82 TRPV3 (0.37) TRPV3
SCHEMBL9158982 0.81 TRPV3 (0.32) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL8774639 0.80 GPR84 (0.34) TRPV3
SCHEMBL8774629 0.80 GPR84 (0.34) TRPV3
SCHEMBL8774414 0.80 TRPV3 (0.32) TRPV3
SCHEMBL8774099 0.78 GAA (0.31)

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