SCHEMBL13565035

SCHEMBL13565035

CC1CN(c2ccc(NCC3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2Cl)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL17090448 1.00 NPY2R (0.41) NPY2RKDM4ELMNACNR2GAA
SCHEMBL17090181 1.00 NPY2R (0.41) NPY2RKDM4ELMNACNR2GAA
SCHEMBL13565032 0.89 KDM4E (0.37) KDM4ELMNACNR2DRD2HTR2A
SCHEMBL13565030 0.89 USP30 (0.39) KDM4ELMNACNR2
SCHEMBL11935386 0.88 NPY5R (0.40) NPY2RKDM4ELMNA
SCHEMBL13439095 0.88 NPY5R (0.40) NPY2RKDM4ELMNA
SCHEMBL11941125 0.88 NPY5R (0.40) NPY2RKDM4ELMNA
SCHEMBL13564738 0.84 MAPT (0.43) CNR2HTR2ADRD3
SCHEMBL11936149 0.84 MAPT (0.43) CNR2HTR2ADRD3
SCHEMBL13565140 0.84 MAPT (0.43) CNR2HTR2ADRD3

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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
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