SCHEMBL7997371

SCHEMBL7997371

CC1CNCCN1C(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.47
HRH4 Q9H3N8 2/20 0.44
CYP51A1 Q16850 1/20 0.44
DRD2 P14416 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
STAT6 P42226 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C3 P42330 2/20 0.40
PYGL P06737 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8004108 1.00 PLD1 (0.47) PLD1HRH4CYP51A1DRD2HRH3
SCHEMBL2228283 0.84 CYP51A1 (0.48) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL2229048 0.80 CYP51A1 (0.43) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL2229050 0.80 CYP51A1 (0.43) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL7999347 0.80 STAT6 (0.46) PLD1STAT6TAS1R3TAS1R1CHRNA7
SCHEMBL1550688 0.80 DRD2 (0.47) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL7941749 0.78 DRD2 (0.46) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL7944428 0.78 DRD2 (0.51) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL1931303 0.78 DRD2 (0.47) HRH4CYP51A1DRD2STAT6TAS1R3
SCHEMBL1931738 0.78 DRD2 (0.47) HRH4CYP51A1DRD2STAT6TAS1R3

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-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed