SCHEMBL9135342

SCHEMBL9135342

C=C[C@H]1CC[C@H](CC[C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(Cl)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.34
ESR2 Q92731 1/20 0.32
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL8518709 0.96 OPRL1 (0.36) OPRL1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL8518707 0.96 OPRL1 (0.36) OPRL1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL8518711 0.96 OPRL1 (0.36) OPRL1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL9181582 0.92 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9181599 0.92 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9181594 0.92 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL14274436 0.92 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9136523 0.90 OPRL1 (0.34) OPRL1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL9136412 0.88 ESR2 (0.34) OPRL1ESR2
SCHEMBL9136818 0.88 ESR2 (0.34) OPRL1ESR2

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-5478497-A For electro-optical purposes HOFFMANN-LA ROCHE INC. (US) 1995-12-26 US disclosed