SCHEMBL2364895

SCHEMBL2364895

C[C@H]1[C@H]2CN(C(=O)[C@@H](NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)[C@@H]1CN2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
SCN3A Q9NY46 2/20 0.42
SCN4A P35499 1/20 0.42
STAT6 P42226 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CYP51A1 Q16850 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
PYGL P06737 2/20 0.38
PYGM P11217 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
CCKBR P32239 1/20 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
SCHEMBL2364894 1.00 DRD2 (0.44) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL7943270 0.89 STAT6 (0.48) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL1929666 0.86 PARP1 (0.45) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL2229048 0.84 CYP51A1 (0.43) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL2229050 0.84 CYP51A1 (0.43) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL6881854 0.83 STAT6 (0.45) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL2229951 0.80 CYP51A1 (0.39) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL7934440 0.79 STAT6 (0.48) DRD2STAT6CYP51A1HRH4CCKBR
SCHEMBL14980442 0.79 STAT6 (0.48) DRD2STAT6CYP51A1HRH4CCKBR
SCHEMBL7941749 0.79 DRD2 (0.46) DRD2STAT6TAS1R3TAS1R1CYP51A1

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-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed