SCHEMBL2229048

SCHEMBL2229048

CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 1/20 0.43
HRH4 Q9H3N8 2/20 0.43
DRD2 P14416 1/20 0.42
CYP2C9 P11712 1/20 0.42
STAT6 P42226 1/20 0.42
SCN3A Q9NY46 2/20 0.41
SCN4A P35499 1/20 0.41
NAMPT P43490 2/20 0.41
AKR1C3 P42330 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 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
SCHEMBL2229050 1.00 CYP51A1 (0.43) CYP51A1HRH4DRD2CYP2C9STAT6
SCHEMBL2228283 0.90 CYP51A1 (0.48) CYP51A1HRH4DRD2STAT6AKR1C3
SCHEMBL2364895 0.84 DRD2 (0.44) CYP51A1HRH4DRD2STAT6SCN3A
SCHEMBL2364894 0.84 DRD2 (0.44) CYP51A1HRH4DRD2STAT6SCN3A
SCHEMBL2227969 0.83 HRH4 (0.45) CYP51A1HRH4DRD2STAT6
SCHEMBL1929666 0.83 PARP1 (0.45) CYP51A1DRD2STAT6SCN3ASCN4A
SCHEMBL7943270 0.82 STAT6 (0.48) CYP51A1HRH4DRD2CYP2C9STAT6
SCHEMBL6876269 0.80 GHSR (0.44) CYP51A1HRH4DRD2STAT6AKR1C3
SCHEMBL8004108 0.80 PLD1 (0.47) CYP51A1HRH4DRD2STAT6AKR1C3
SCHEMBL7997371 0.80 PLD1 (0.47) CYP51A1HRH4DRD2STAT6AKR1C3

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-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed