SCHEMBL11102829

SCHEMBL11102829

O=c1[nH]c2cc(Br)ccc2n1C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.57
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
PLD2 O14939 4/20 0.50
PLD1 Q13393 4/20 0.50
SIRT2 Q8IXJ6 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
SCHEMBL5482356 0.92 CHRM1 (0.67) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL25291004 0.91 OPRM1 (0.61) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL22122308 0.88 OPRM1 (0.59) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL22090629 0.84 CHRM1 (0.57) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL28604447 0.83 OPRM1 (0.60) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL1760904 0.83 OPRM1 (0.57) OPRM1CHRM1DRD2SIRT2
SCHEMBL30825655 0.83 OPRM1 (0.57) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL30870639 0.83 SIRT2 (0.49) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL29364904 0.83 DRD2 (0.64) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL2245042 0.83 OPRM1 (0.57) OPRM1CHRM1DRD2PLD2PLD1

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 4 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
US-3996362-A ANTIDEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3989707-A NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-02 US disclosed