SCHEMBL9702542

SCHEMBL9702542

CN(C(=O)Cc1cccc2sccc12)C1c2ccccc2CCC1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.66
OPRK1 P41145 12/20 0.66
OPRD1 P41143 2/20 0.60
SIGMAR1 Q99720 2/20 0.60

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
SCHEMBL9703418 0.96 OPRM1 (0.66) OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL9767788 0.91 OPRM1 (0.66) OPRM1OPRK1SIGMAR1
SCHEMBL9494728 0.87 SIGMAR1 (0.67) OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL9702348 0.83 SIGMAR1 (0.67) OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL9493356 0.81 OPRM1 (0.69) OPRM1OPRK1
SCHEMBL8761982 0.81 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL5674183 0.81 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL4545380 0.81 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL10589759 0.80 SIGMAR1 (0.76) OPRM1OPRK1OPRD1SIGMAR1
Hydrochloric Acid SCHEMBL3078695 0.80 OPRM1 (1.00) OPRM1OPRK1SIGMAR1

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
US-5130329-A Amino, amide substituted compounds ROUSSEL UCLAF (FR) 1992-07-14 US disclosed
US-5068244-A Benzcarbocyclic amides with nitro groups ROUSSEL UCLAF (FR) 1991-11-26 US disclosed