SCHEMBL9406090

SCHEMBL9406090

CC[C@H]1CC[C@H](c2ccc(F)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.38
OPRL1 P41146 15/20 0.37
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9406095 1.00 TRPV3 (0.38) TRPV3OPRL1ALDH1A1
SCHEMBL5837237 0.95 TRPV3 (0.36) TRPV3OPRL1ALDH1A1
SCHEMBL5837247 0.95 TRPV3 (0.36) TRPV3OPRL1ALDH1A1
SCHEMBL9247484 0.95 TRPV3 (0.36) TRPV3OPRL1ALDH1A1
SCHEMBL5837243 0.95 TRPV3 (0.36) TRPV3OPRL1ALDH1A1
SCHEMBL9419299 0.88 HTR2C (0.41) TRPV3OPRL1
SCHEMBL9406149 0.86 CYP2C9 (0.41) OPRL1ALDH1A1
SCHEMBL9406145 0.86 CYP2C9 (0.41) OPRL1ALDH1A1
SCHEMBL17108421 0.86 TRPV3 (0.35) TRPV3OPRL1ALDH1A1
SCHEMBL14864483 0.86 OPRL1 (0.42) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed