SCHEMBL8380937

SCHEMBL8380937

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
EPHX2 P34913 2/20 0.46
TMPRSS2 O15393 2/20 0.41
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PAX8 Q06710 1/20 0.38
USP2 O75604 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL7906619 0.95 ITGB3 (0.47) ITGB3ITGA2BEPHX2TMPRSS2GAA
SCHEMBL8384345 0.91 ITGB3 (0.40) ITGB3ITGA2BTMPRSS2LMNAGAA
SCHEMBL7907920 0.89 ITGB3 (0.53) ITGB3ITGA2BTMPRSS2LMNAHTT
SCHEMBL7913438 0.87 GAA (0.43) ITGB3ITGA2BTMPRSS2LMNAGAA
SCHEMBL8381648 0.86 EPHX2 (0.49) ITGB3ITGA2BEPHX2LMNAGAA
SCHEMBL7906618 0.85 HTT (0.49) ITGB3ITGA2BTMPRSS2HTTMEN1
SCHEMBL8382592 0.83 HTT (0.41) ITGB3ITGA2BEPHX2LMNAHTT
SCHEMBL8380840 0.83 ITGB3 (0.46) ITGB3ITGA2BTMPRSS2LMNAHTT
SCHEMBL8381689 0.82 EPHX2 (0.53) ITGB3ITGA2BEPHX2TMPRSS2LMNA
SCHEMBL7900135 0.82 ITGB3 (0.48) ITGB3ITGA2BTMPRSS2HTTF2

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