SCHEMBL5729368

SCHEMBL5729368

COC(=O)C1CN(C(=O)OC(C)(C)C)CC(=O)N1NC1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.43
USP30 Q70CQ3 1/20 0.41
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL6799065 0.89 GPR119 (0.45) GPR119USP30HIF1AALDH1A1HRH3
SCHEMBL5730616 0.89 NR1H2 (0.42) GPR119USP30ALDH1A1NR1H2NR1H3
SCHEMBL5729107 0.86 NR1H2 (0.38) GPR119USP30ALDH1A1NR1H2NR1H3
SCHEMBL38661200 0.73 USP30 (0.47) GPR119USP30HIF1AALDH1A1NR1H2
SCHEMBL25606205 0.73 NR1H2 (0.63) GPR119USP30HIF1AALDH1A1NR1H2
SCHEMBL5730431 0.73 F10 (0.55)
Hydrochloric Acid SCHEMBL5729006 0.72 F10 (0.54)
SCHEMBL13587106 0.71 MAPT (0.63) GPR119HIF1AALDH1A1HRH3
SCHEMBL1456142 0.71 CKS1B (0.54) GPR119
SCHEMBL25336906 0.70 PDE4B (0.43) ALDH1A1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed