SCHEMBL3468778

SCHEMBL3468778

CCN(CC)C(=O)c1ccc(C2=CN(C(C)C)C(C3CCNCC3)C=C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.51
OPRM1 P35372 15/20 0.43
OPRK1 P41145 6/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL3454571 0.80 CTSC (0.34)
SCHEMBL27512005 0.68 OPRD1 (0.82) OPRD1OPRM1OPRK1
SCHEMBL6797795 0.68 OPRD1 (1.00) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL3468776 0.67 OPRD1 (0.48) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL27476085 0.67 OPRD1 (0.80) OPRD1OPRM1OPRK1
SCHEMBL27501405 0.67 OPRD1 (0.80) OPRD1OPRM1OPRK1
SCHEMBL12736121 0.66 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL27474131 0.65 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL27473306 0.64 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL27485227 0.63 OPRD1 (0.79) OPRD1OPRM1OPRK1HPGD

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-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed