SCHEMBL8385342

SCHEMBL8385342

N=C(N)Nc1ccc(C(=O)N2CCN(CC(=O)O)C(=O)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.58
ITGA2B P08514 8/20 0.58
NAMPT P43490 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 4/20 0.40
F2 P00734 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PRSS1 P07477 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
SCHEMBL8384220 0.88 ITGB3 (0.46) ITGB3ITGA2BNAMPTCYP2C19HRH3
SCHEMBL8385474 0.87 ITGB3 (0.45) ITGB3ITGA2BNAMPTKMT2AF10
SCHEMBL8386317 0.81 EPHX2 (0.41) ITGB3ITGA2BNAMPTKMT2AF10
SCHEMBL7762424 0.74 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8386644 0.74 KMT2A (0.52) ITGB3ITGA2BNAMPTMEN1KMT2A
SCHEMBL6158735 0.74 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL8949226 0.73 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL16222307 0.72 EPHX2 (0.66) NAMPTMEN1KMT2ACYP2C19HPGD
SCHEMBL8312153 0.72 EPHX2 (0.56) NAMPTMEN1KMT2ACYP2C19KDM4E
SCHEMBL8385479 0.72 ITGB3 (0.49) ITGB3ITGA2BNAMPTMEN1KMT2A

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
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed