SCHEMBL9644180

SCHEMBL9644180

CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1c2ccccc2C[C@H]1N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.64
OPRK1 P41145 3/20 0.56
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56
CCR5 P51681 1/20 0.48
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7966344 1.00 SIGMAR1 (0.64) SIGMAR1OPRK1OPRM1OPRD1CCR5
SCHEMBL9493831 0.90 SIGMAR1 (0.69) SIGMAR1OPRK1OPRM1OPRD1CCR5
SCHEMBL9496323 0.90 SIGMAR1 (0.69) SIGMAR1OPRK1OPRM1OPRD1CCR5
Niravoline SCHEMBL7935616 0.90 SIGMAR1 (0.67) SIGMAR1OPRK1OPRM1OPRD1
Niravoline SCHEMBL637489 0.90 SIGMAR1 (0.67) SIGMAR1OPRK1OPRM1OPRD1
Niravoline SCHEMBL29388767 0.90 SIGMAR1 (0.67) SIGMAR1OPRK1OPRM1OPRD1
Niravoline SCHEMBL9250990 0.90 SIGMAR1 (0.67) SIGMAR1OPRK1OPRM1OPRD1
Niravoline SCHEMBL7747722 0.89 SIGMAR1 (0.66) SIGMAR1OPRK1OPRM1OPRD1
Niravoline SCHEMBL7942442 0.89 SIGMAR1 (0.66) SIGMAR1OPRK1OPRM1OPRD1
SCHEMBL9772344 0.87 SIGMAR1 (0.61) SIGMAR1OPRK1OPRM1OPRD1

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
EP-0258096-B1 INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE INTERMEDIATES OBTAINED ROUSSEL-UCLAF (FR) 1992-09-09 EP claimed
US-5043347-A Indanes and analgesic compositions and methods thereof ROUSSEL UCLAF (FR) 1991-08-27 US disclosed