SCHEMBL9643796

SCHEMBL9643796

CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2C[C@H]1N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.65
▸ OPRM1 P35372 2/20 0.59
▸ OPRD1 P41143 2/20 0.59
▸ OPRK1 P41145 2/20 0.59

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
SCHEMBL7953855 1.00 SIGMAR1 (0.65) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9493476 0.91 SIGMAR1 (0.67) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9492767 0.91 SIGMAR1 (0.73) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9643179 0.83 OPRK1 (0.82) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL7962880 0.83 OPRK1 (0.82) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9772473 0.83 OPRK1 (0.81) SIGMAR1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL9813887 0.83 OPRK1 (0.82) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL7963740 0.83 OPRK1 (0.81) SIGMAR1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7077496 0.83 OPRK1 (0.82) SIGMAR1OPRM1OPRD1OPRK1
1,2-Dichlorobenzene SCHEMBL9643149 0.82 SIGMAR1 (0.59) 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 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
Send feedback