SCHEMBL9253040

SCHEMBL9253040

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.33
CNR1 P21554 1/20 0.31
APLNR P35414 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
SCHEMBL9249912 0.90 APLNR (0.32) CNR1APLNR
SCHEMBL9250333 0.88 APLNR (0.34) APLNR
SCHEMBL9158982 0.88 TRPV3 (0.32) TRPV3
SCHEMBL9244209 0.87 GAA (0.34) APLNR
SCHEMBL9766719 0.86 APLNR (0.33) APLNR
SCHEMBL9250236 0.86 GAA (0.36) APLNR
SCHEMBL8774613 0.84 TRPV3 (0.37) TRPV3
SCHEMBL9162508 0.80 ESR2 (0.36) TRPV3
SCHEMBL9162521 0.80 ESR2 (0.36) TRPV3
SCHEMBL9159896 0.79 SLC6A2 (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 4 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
US-5205962-A Stable liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US 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