SCHEMBL10337805

SCHEMBL10337805

CCCOC1([C@H]2CC[C@H](C(F)F)CC2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL10337740 0.93 NR5A1 (0.33)
SCHEMBL10337527 0.90
SCHEMBL10337707 0.84
SCHEMBL10337718 0.79 KDM1A (0.35)
SCHEMBL10337754 0.79 KDM1A (0.32)
SCHEMBL10337714 0.77 SLC10A2 (0.32)
SCHEMBL10337647 0.75 CHRM3 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10337698 0.75 CHRM3 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10337530 0.75 CHRM3 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10337760 0.75 CHRM3 (0.32) OPRM1OPRD1OPRK1OPRL1

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-0381728-A1 DIFLUOROMETHYL COMPOUNDS. MERCK PATENT GMBH (DE) 1990-08-16 EP disclosed
WO-1990001056-A1 DIFLUOROMETHYL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-02-08 WO disclosed