SCHEMBL6987515

SCHEMBL6987515

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CCCN2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.50
FPR2 P25090 4/20 0.49
FPR1 P21462 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
F10 P00742 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
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
SCHEMBL7065460 0.82 FPR2 (0.53) GPR119FPR2FPR1MEN1KMT2A
SCHEMBL7065465 0.82 FPR2 (0.53) GPR119FPR2FPR1MEN1KMT2A
SCHEMBL4209706 0.78 NPC1 (0.53) MEN1KMT2ANPC1PTPN2PTPN1
SCHEMBL7065090 0.77 FPR2 (0.49) GPR119FPR2FPR1L3MBTL1POLB
SCHEMBL3831783 0.75 NPC1 (0.64) FPR2MEN1KMT2ANPC1PTPN2
SCHEMBL3833239 0.75 GPR119 (0.51) GPR119FPR2FPR1MEN1KMT2A
SCHEMBL7064874 0.74 FPR2 (0.48) GPR119FPR2FPR1LMNAL3MBTL1
SCHEMBL7065471 0.73 FPR2 (0.48) GPR119FPR2FPR1F10
SCHEMBL7065095 0.73 FPR2 (0.48) GPR119FPR2FPR1F10
SCHEMBL7064681 0.73 PRSS1 (0.50) FPR2FPR1F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 WO disclosed