SCHEMBL9767788

SCHEMBL9767788

CN(C(=O)Cc1cccc2sccc12)C1c2ccccc2CC1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.66
OPRK1 P41145 10/20 0.66
SIGMAR1 Q99720 1/20 0.49

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 0.91 OPRM1 (0.66) OPRM1OPRK1SIGMAR1
SCHEMBL9702542 0.91 OPRM1 (0.66) OPRM1OPRK1SIGMAR1
SCHEMBL9767727 0.86 SIGMAR1 (0.66) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL9767758 0.85 SIGMAR1 (0.65) OPRM1OPRK1SIGMAR1
SCHEMBL9767787 0.82 OPRM1 (0.67) OPRM1OPRK1SIGMAR1
SCHEMBL5674183 0.80 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL4545380 0.80 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL8761982 0.80 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL9772298 0.80 SIGMAR1 (0.50) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL3078695 0.79 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272982-B1 INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES OBTAINED, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-04-17 EP claimed
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