SCHEMBL9158982

SCHEMBL9158982

CCC1CCC(C(C)c2ccc(-c3ccc(Cl)nc3F)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 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
SCHEMBL9159896 0.92 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL9159148 0.89 MEN1 (0.31)
SCHEMBL9253040 0.88 TRPV3 (0.33) TRPV3
SCHEMBL9154681 0.88 GAA (0.33)
SCHEMBL9766630 0.88 MEN1 (0.30)
SCHEMBL8774613 0.81 TRPV3 (0.37) TRPV3
SCHEMBL9156852 0.81 ESR2 (0.35) TRPV3
SCHEMBL9156845 0.81 ESR2 (0.35) TRPV3
SCHEMBL8774622 0.81 TRPV3 (0.35) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL9249912 0.81 APLNR (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 EP disclosed
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed