SCHEMBL17090215

SCHEMBL17090215

Cc1cc(NCCCCCNS(=O)(=O)C(C)C)cc(C(=O)NC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.44
NPY5R Q15761 6/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
GRIA2 P42262 1/20 0.37
NR3C1 P04150 1/20 0.35
CREBBP Q92793 2/20 0.35
BRD4 O60885 1/20 0.35
HTR1A P08908 1/20 0.35
MAPT P10636 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
FABP4 P15090 1/20 0.33

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
SCHEMBL11935634 0.86 TAS1R3 (0.37) TAS1R3TAS1R1CREBBPBRD4MAPT
SCHEMBL10115388 0.85 HDAC6 (0.45) GRIA1TAS1R3TAS1R1MAPTFABP4
SCHEMBL11935774 0.84 NPSR1 (0.45) GRIA1NPY5RNR3C1HTR1ACTSL
SCHEMBL11935795 0.83 TAS1R3 (0.41) TAS1R3TAS1R1CREBBPBRD4MAPT
SCHEMBL13565322 0.83 GRIA1 (0.49) GRIA1NPY5RGRIA2CTSLCTSS
SCHEMBL17090450 0.78 GRIA1 (0.43) GRIA1NPY5RTAS1R3TAS1R1NR3C1
SCHEMBL17090287 0.78 GRIA1 (0.43) GRIA1NPY5RNR3C1HTR1AFABP4
SCHEMBL17090463 0.75 LMNA (0.41) TAS1R3TAS1R1NR3C1
SCHEMBL13439365 0.74 GRIA1 (0.43) GRIA1NPY5RHTR1AFABP4
SCHEMBL17090288 0.73 GRIA1 (0.49) GRIA1NPY5RHTR1AFABP4

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