SCHEMBL8385474

SCHEMBL8385474

COC(=O)CN1CCN(C(=O)c2ccc(NC(=N)N)cc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NAMPT P43490 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL8386317 0.89 EPHX2 (0.41) ITGB3ITGA2BCYP2C19HPGDKDM4E
SCHEMBL8385342 0.87 ITGB3 (0.58) ITGB3ITGA2BCYP2C19HPGDKDM4E
SCHEMBL8384220 0.81 ITGB3 (0.46) ITGB3ITGA2BCYP2C19NAMPT
Hydrochloric Acid SCHEMBL8949290 0.76 ITGB3 (0.46) ITGB3ITGA2BPARP1PARP2KMT2A
SCHEMBL8380852 0.75 CYP2C19 (0.43) CYP2C19HPGDKDM4ENAMPTGAA
SCHEMBL8384654 0.74 NAMPT (0.53) CYP2C19HPGDKDM4ENAMPTLMNA
SCHEMBL8385320 0.74 TGM2 (0.45) ITGB3ITGA2BKDM4ENAMPTGAA
SCHEMBL8312153 0.73 EPHX2 (0.56) CYP2C19HPGDKDM4ENAMPTGAA
SCHEMBL16222307 0.73 EPHX2 (0.66) CYP2C19HPGDNAMPTKMT2ALMNA
SCHEMBL8381533 0.72 KMT2A (0.47) ITGB3ITGA2BKDM4EGAAKMT2A

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 1 patent. 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