SCHEMBL9702815

SCHEMBL9702815

CON(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.60
▸ OPRM1 P35372 3/20 0.60
▸ OPRD1 P41143 3/20 0.60
▸ OPRK1 P41145 3/20 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
SCHEMBL9492767 0.89 SIGMAR1 (0.73) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9493476 0.88 SIGMAR1 (0.67) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9643796 0.80 SIGMAR1 (0.65) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL7953855 0.80 SIGMAR1 (0.65) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL14367928 0.75 OPRK1 (1.00) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9748062 0.75 OPRK1 (1.00) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9748668 0.75 OPRK1 (1.00) SIGMAR1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7077006 0.75 OPRK1 (1.00) SIGMAR1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7077002 0.75 OPRK1 (1.00) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9704626 0.74 SIGMAR1 (0.71) SIGMAR1OPRM1OPRD1OPRK1

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-5130329-A Amino, amide substituted compounds ROUSSEL UCLAF (FR) 1992-07-14 — — US disclosed
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