SCHEMBL9767787

SCHEMBL9767787

CN(C(=O)Cc1cccc2[nH]ccc12)C1c2ccccc2CC1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.67
OPRK1 P41145 7/20 0.67
SIGMAR1 Q99720 4/20 0.48
OPRD1 P41143 2/20 0.47

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
SCHEMBL9767727 0.85 SIGMAR1 (0.66) OPRM1OPRK1SIGMAR1OPRD1
Hydrochloric Acid SCHEMBL9767758 0.85 SIGMAR1 (0.65) OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL9767788 0.82 OPRM1 (0.66) OPRM1OPRK1SIGMAR1
SCHEMBL9772298 0.79 SIGMAR1 (0.50) OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL9772412 0.78 KMT2A (0.58) OPRM1OPRK1SIGMAR1OPRD1
Hydrochloric Acid SCHEMBL9772305 0.77 KMT2A (0.57) OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL9772344 0.76 SIGMAR1 (0.61) OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL9494728 0.76 SIGMAR1 (0.67) OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL9702348 0.76 SIGMAR1 (0.67) OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL9767784 0.74 SIGMAR1 (0.66) OPRM1OPRK1SIGMAR1OPRD1

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-4988727-A Cardiovascular disorders, analgesics ROUSSEL UCLAF (FR) 1991-01-29 US disclosed
US-4888355-A Indanes and their use as antiarrhythmic agents ROUSSEL UCLAF (FR) 1989-12-19 US disclosed