SCHEMBL8551323

SCHEMBL8551323

COC(=O)CC[C@H]1CC[C@H](N(Cc2cccnc2)C(=O)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.43
NAMPT P43490 1/20 0.40
SLC2A1 P11166 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
Hydrochloric Acid SCHEMBL8621850 0.85 PLAT (0.38)
Hydrochloric Acid SCHEMBL8551306 0.85 PLAT (0.38)
SCHEMBL8624368 0.83 GPR119 (0.39) GPR119
SCHEMBL8549545 0.76 L3MBTL1 (0.43) THRBLMNA
SCHEMBL5772852 0.71 NAMPT (0.60) GPR119NAMPTCCNA2CDK2LMNA
SCHEMBL8550488 0.70 KDM4E (0.44) GPR119NAMPTJAK2JAK1THRB
SCHEMBL8553067 0.69 GLS (0.38) GPR119JAK2JAK1GAATHRB
SCHEMBL2280397 0.69 GPR119 (0.61) GPR119NAMPTCCNA2CDK2KDM1A
SCHEMBL4325703 0.68 GPR119 (0.58) GPR119NAMPTKDM1AKEAP1NFE2L2
SCHEMBL7496204 0.68 KEAP1 (0.58) GPR119KDM1AKEAP1NFE2L2

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-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed