SCHEMBL17090205

SCHEMBL17090205

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CCR1 P32246 4/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL17090519 0.91 NPY5R (0.37) NPY5RCYP3A4CYP2C8CCR1OPRM1
SCHEMBL13565112 0.91 NPY5R (0.37) NPY5RCYP3A4CYP2C8CCR1OPRM1
SCHEMBL13565097 0.87 OPRM1 (0.39) NPY5RCYP3A4CYP2C8CCR1OPRM1
SCHEMBL17090383 0.81 NPY5R (0.41) NPY5RCYP3A4CYP2C8CCR1
SCHEMBL13565102 0.81 NPY5R (0.41) NPY5RCYP3A4CYP2C8CCR1
SCHEMBL10114806 0.78 ALDH1A1 (0.46) CCR1OPRM1
SCHEMBL13564881 0.77 LRRK2 (0.37) NPY5R
SCHEMBL17090206 0.77 LRRK2 (0.37) NPY5R
SCHEMBL13439141 0.76 OPRM1 (0.37) CCR1OPRM1OPRL1
SCHEMBL13565148 0.75 DRD2 (0.40) CCR1OPRM1OPRL1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed