SCHEMBL13620476

SCHEMBL13620476

CCN(CC)C(=O)c1ccc(C(c2cccc(N)c2)N2CCNCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.78
OPRM1 P35372 13/20 0.78
OPRK1 P41145 6/20 0.72

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
SCHEMBL13620474 1.00 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL3131262 0.88 OPRD1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL14462016 0.88 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL14462014 0.88 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL12569777 0.88 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL12569764 0.87 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL14360708 0.87 OPRD1 (0.61) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6796562 0.87 OPRD1 (0.98) OPRD1OPRM1OPRK1
SCHEMBL2001758 0.86 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL12624358 0.85 OPRD1 (0.74) OPRD1OPRM1OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009142587-A1 METHOD OF TREATING ANXIOUS MAJOR DEPRESSIVE DISORDER ASTRAZENECA AB (SE) 2009-11-26 WO disclosed