SCHEMBL8774889

SCHEMBL8774889

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

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.30
ESR2 Q92731 1/20 0.30
SCN9A Q15858 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
SCHEMBL8774781 0.83 TRPV3 (0.34) TRPV3
SCHEMBL8774838 0.80 OPRL1 (0.35)
SCHEMBL8774787 0.78 GAA (0.36)
SCHEMBL8774738 0.77 MAPT (0.38)
SCHEMBL8774937 0.77 TRPV3 (0.36) TRPV3
SCHEMBL9162502 0.77 ESR2 (0.33) TRPV3ESR2
SCHEMBL9162511 0.77 ESR2 (0.33) TRPV3ESR2
SCHEMBL9162486 0.77 ESR2 (0.33) TRPV3ESR2
SCHEMBL8774929 0.77 TRPV3 (0.36) TRPV3
SCHEMBL9162495 0.77 ESR2 (0.33) TRPV3ESR2

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