SCHEMBL22720237

SCHEMBL22720237

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(F)c(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.44
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
DPP4 P27487 1/20 0.41
TBK1 Q9UHD2 1/20 0.39
ABCB1 P08183 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
POLB P06746 1/20 0.38
KAT6A Q92794 1/20 0.37
KAT8 Q9H7Z6 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
SCHEMBL1470076 0.79 TBK1 (0.43) GPR119SMARCA2SMARCA4PBRM1TBK1
SCHEMBL1470077 0.79 TBK1 (0.43) GPR119SMARCA2SMARCA4PBRM1TBK1
SCHEMBL22724543 0.78 SETD7 (0.46) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL30957838 0.78 SETD7 (0.46) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL27283617 0.77 ABCB1 (0.42) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL21566123 0.77 ABCB1 (0.42) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL30943543 0.77 ABCB1 (0.42) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL21846846 0.75 MEN1 (0.43) GPR119SMARCA2SMARCA4PBRM1TBK1
SCHEMBL24492752 0.75 GPR119 (0.53) GPR119SMARCA2SMARCA4PBRM1TBK1
SCHEMBL28382638 0.75 TBK1 (0.43) GPR119SMARCA2SMARCA4PBRM1TBK1

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-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed