SCHEMBL17090198

SCHEMBL17090198

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
JAK1 P23458 2/20 0.39
CHRM4 P08173 1/20 0.38
CCR1 P32246 5/20 0.38
DRD3 P35462 1/20 0.38
CCR3 P51677 1/20 0.37
SIGMAR1 Q99720 2/20 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
SCHEMBL13565148 1.00 DRD2 (0.40) DRD2MAPTOPRM1OPRL1JAK1
SCHEMBL13565097 0.88 OPRM1 (0.39) DRD2OPRM1OPRL1JAK1CCR1
SCHEMBL11940763 0.84 OPRM1 (0.40) DRD2OPRM1OPRL1JAK1CHRM4
SCHEMBL13438971 0.84 OPRM1 (0.40) DRD2OPRM1OPRL1JAK1CHRM4
SCHEMBL13565578 0.84 CNR2 (0.41)
SCHEMBL17090008 0.84 CNR2 (0.41)
SCHEMBL10116248 0.84 L3MBTL1 (0.47) DRD2MAPTCCR1DRD3
SCHEMBL10114422 0.84 L3MBTL1 (0.47) DRD2MAPTCCR1DRD3
SCHEMBL13565547 0.83 NPC1 (0.45) JAK1
SCHEMBL17090165 0.83 NPC1 (0.45) JAK1

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