SCHEMBL7370834

SCHEMBL7370834

C=C(C#N)c1ccn(C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 1/20 0.33
BCHE P06276 1/20 0.33
GPR119 Q8TDV5 6/20 0.32
NR1H2 P55055 2/20 0.31
BUB1 O43683 1/20 0.31
NR1H3 Q13133 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL19638080 0.79 GPR119 (0.38) MEN1KMT2ABCHEGPR119BUB1
SCHEMBL31119448 0.76 GPR119 (0.41) MEN1KMT2ACTSKBCHEGPR119
SCHEMBL7023132 0.76 NR1H2 (0.41) MEN1KMT2ABCHENR1H2
SCHEMBL7014583 0.72 CA12 (0.42) MEN1KMT2A
SCHEMBL7528678 0.72 ESR2 (0.40) MEN1KMT2ABCHEGPR119BUB1
SCHEMBL11911366 0.72 GPR119 (0.39) MEN1KMT2ABCHEGPR119NR1H2
SCHEMBL28581988 0.70 BCHE (0.38) MEN1KMT2ABCHEGPR119BUB1
SCHEMBL1018306 0.70 BCHE (0.38) MEN1KMT2ABCHEGPR119NR1H2
SCHEMBL12593934 0.70 NR1H2 (0.41) MEN1KMT2ABCHEGPR119NR1H2
SCHEMBL20033881 0.70 BCHE (0.38) MEN1KMT2ABCHEGPR119NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191145-B1 ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
EP-1028943-A2 ORALLY-ACTIVE NIPECOTAMIDE GLYCOLAMIDE ESTERS FOR THE TREATMENT OF THROMBOSIS DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-08-23 EP disclosed
US-6066651-A ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-05-23 US disclosed
WO-1999021832-A2 ORALLY-ACTIVE NIPECOTAMIDE GLYCOLAMIDE ESTERS FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-05-06 WO disclosed