SCHEMBL7901506

SCHEMBL7901506

CCC1c2cccc(F)c2NC1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.42
BTK Q06187 1/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 2/20 0.39
ACKR3 P25106 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HPGDS O60760 1/20 0.37
SCN9A Q15858 1/20 0.37
BRD4 O60885 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
SCHEMBL7900422 0.78 BTK (0.44) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL7900093 0.78 BTK (0.44) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL7898292 0.74 BTK (0.42) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL7891192 0.73 USP30 (0.41) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL7899985 0.73 USP30 (0.43) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL1866537 0.71 ALOX5AP (0.57) GPR119MAPTUSP30ACKR3JAK2
SCHEMBL1866539 0.71 ALOX5AP (0.57) GPR119MAPTUSP30ACKR3JAK2
SCHEMBL19405061 0.68 GPR119 (0.52) GPR119MAPTUSP30TRPV3HPGDS
SCHEMBL1474817 0.68 GPR119 (0.56) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL8234183 0.68 GPR119 (0.55) GPR119USP30ACKR3KAT7KAT8

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed