SCHEMBL6985709

SCHEMBL6985709

CC(C)(C)OC(=O)c1cccnc1NCC(=O)N1CCC(Nc2cccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 2/20 0.45
EPHX2 P34913 1/20 0.45
SCD O00767 8/20 0.43
GPR119 Q8TDV5 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6987185 0.82 SIGLEC9 (0.45) SIGLEC9EPHX2SCDALDH1A1RAB9A
SCHEMBL6976928 0.80 SCD (0.54) SCD
SCHEMBL6345789 0.79 EPHX2 (0.56) SIGLEC9EPHX2
SCHEMBL6984405 0.79 SCD (0.50) EPHX2SCD
SCHEMBL31023936 0.78 GPR119 (0.65) SIGLEC9EPHX2GPR119CCNA2CDK2
SCHEMBL1876139 0.78 GPR119 (0.65) SIGLEC9EPHX2GPR119CCNA2CDK2
SCHEMBL6346302 0.77 NOS2 (0.51) SIGLEC9EPHX2SCD
Hydrochloric Acid SCHEMBL6983385 0.76 SIGLEC9 (0.40) SIGLEC9EPHX2SCDMAPK1
SCHEMBL6347296 0.75 SIGLEC9 (0.49) SIGLEC9EPHX2GPR119CCNA2CDK2
SCHEMBL23022528 0.74 GPR119 (0.59) SIGLEC9EPHX2GPR119CCNA2CDK2

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed