SCHEMBL8774781

SCHEMBL8774781

CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(F)nc3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.34
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8774937 0.95 TRPV3 (0.36) TRPV3OPRL1ALDH1A1
SCHEMBL8774929 0.95 TRPV3 (0.36) TRPV3OPRL1ALDH1A1
SCHEMBL8774838 0.88 OPRL1 (0.35) OPRL1ALDH1A1
SCHEMBL8774787 0.86 GAA (0.36) OPRL1
SCHEMBL8774738 0.85 MAPT (0.38) OPRL1
SCHEMBL8774689 0.83 OPRL1 (0.37) OPRL1ALDH1A1
SCHEMBL8774696 0.83 OPRL1 (0.37) OPRL1ALDH1A1
SCHEMBL8774889 0.83 TRPV3 (0.30) TRPV3
SCHEMBL8774389 0.81 GAA (0.38) OPRL1
SCHEMBL8774401 0.81 GAA (0.38) 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 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