SCHEMBL11099709

SCHEMBL11099709

O=c1[nH]c2cc(Cl)c(Cl)cc2n1C1CCN(CC2COc3cc([N+](=O)[O-])ccc3O2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.50
SIRT2 Q8IXJ6 1/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL11097482 0.86 OPRM1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL11096216 0.86 OPRM1 (0.57) OPRM1
SCHEMBL11097774 0.85 DRD2 (0.57) OPRM1SIRT2OPRD1OPRK1
SCHEMBL11098562 0.84 OPRM1 (0.60) OPRM1
SCHEMBL11099144 0.83 OPRM1 (0.53) OPRM1
SCHEMBL11023441 0.80 DRD3 (0.58) OPRM1OPRD1OPRK1
SCHEMBL11097105 0.79 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11029089 0.78 OPRM1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL11024114 0.77 OPRM1 (0.54) OPRM1
SCHEMBL11023582 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1

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-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed