SCHEMBL9767727

SCHEMBL9767727

CN(C(=O)Cc1cccc2ccccc12)C1c2ccccc2CC1N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.66
OPRM1 P35372 9/20 0.51
OPRK1 P41145 9/20 0.51
OPRD1 P41143 2/20 0.51

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
Hydrochloric Acid SCHEMBL9767758 0.99 SIGMAR1 (0.65) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9494728 0.90 SIGMAR1 (0.67) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9702348 0.90 SIGMAR1 (0.67) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9767788 0.86 OPRM1 (0.66) SIGMAR1OPRM1OPRK1
SCHEMBL9767787 0.85 OPRM1 (0.67) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9772298 0.83 SIGMAR1 (0.50) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9772412 0.82 KMT2A (0.58) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL9767784 0.82 SIGMAR1 (0.66) SIGMAR1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL9772305 0.81 KMT2A (0.57) SIGMAR1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL9767748 0.81 SIGMAR1 (0.65) SIGMAR1OPRM1OPRK1OPRD1

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 7 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-4888355-A Indanes and their use as antiarrhythmic agents ROUSSEL UCLAF (FR) 1989-12-19 US claimed
EP-0272982-A2 Indane derivatives, process for their preparation and intermediates obtained, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-06-29 EP claimed
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 disclosed
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
EP-0272982-A2 Indane derivatives, process for their preparation and intermediates obtained, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-06-29 EP disclosed