SCHEMBL7907920

SCHEMBL7907920

N=C(N)N1CCN(CC(=O)Nc2cccc(C(=O)NCC(=O)O)c2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
TMPRSS2 O15393 4/20 0.44
HTT P42858 2/20 0.42
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PLA2G10 O15496 1/20 0.37
LMNA P02545 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
SCHEMBL7906619 0.91 ITGB3 (0.47) ITGB3ITGA2BTMPRSS2HTTALDH1A1
SCHEMBL8380840 0.90 ITGB3 (0.46) ITGB3ITGA2BTMPRSS2HTTALDH1A1
SCHEMBL8380937 0.89 ITGB3 (0.46) ITGB3ITGA2BTMPRSS2HTTMEN1
SCHEMBL7906618 0.88 HTT (0.49) ITGB3ITGA2BTMPRSS2HTTALDH1A1
SCHEMBL7907917 0.85 MEN1 (0.52) TMPRSS2ALDH1A1TP53MEN1KMT2A
SCHEMBL7900135 0.85 ITGB3 (0.48) ITGB3ITGA2BTMPRSS2HTTALDH1A1
SCHEMBL7913438 0.85 GAA (0.43) ITGB3ITGA2BTMPRSS2HTTALDH1A1
SCHEMBL8384345 0.83 ITGB3 (0.40) ITGB3ITGA2BTMPRSS2HTTNAMPT
SCHEMBL7900146 0.83 ITGB3 (0.42) ITGB3ITGA2BTMPRSS2HTTALDH1A1
SCHEMBL8386290 0.82 ITGB3 (0.42) ITGB3ITGA2BHTTALDH1A1MEN1

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-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
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