SCHEMBL14720344

SCHEMBL14720344

CCN(C[C@@H]1CCN(C(=O)O)C1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL14720201 0.86 HDAC1 (0.52)
SCHEMBL14720297 0.85 LIMK2 (0.48) OPRD1
SCHEMBL14720668 0.82 OPRD1 (0.39) OPRD1
SCHEMBL14720407 0.75 CHRM3 (0.39) OPRD1KDM4E
SCHEMBL14720186 0.75 JAK2 (0.52) KDM4E
SCHEMBL14720449 0.74 CHRM3 (0.52) ALDH1A1
SCHEMBL14720115 0.74 FASN (0.43) KDM4EALDH1A1
SCHEMBL22220876 0.73 BCHE (0.49) OPRM1OPRD1ALDH1A1
SCHEMBL14720130 0.73 CHIT1 (0.52) KDM4EALDH1A1
SCHEMBL1934529 0.72 HPGD (0.61) ALDH1A1

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-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed