SCHEMBL7016783

SCHEMBL7016783

CCc1nc(NCCc2ccccn2)c(=O)n(CC(=O)O)c1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.49
PRSS1 P07477 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.41
PGK1 P00558 1/20 0.41

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
SCHEMBL7363341 0.89 F2 (0.47) F2PRSS1KDM4EALDH1A1MAPT
SCHEMBL7159962 0.81 F2 (0.70) F2PRSS1
SCHEMBL7365127 0.74 PGK1 (0.41) F2KDM4EALDH1A1MAPTMAOB
SCHEMBL3242830 0.72 F2 (0.66) F2PRSS1
SCHEMBL7015258 0.72 F2 (0.44) F2PRSS1KDM4EALDH1A1MAPT
SCHEMBL7158554 0.71 F2 (0.63) F2PRSS1
SCHEMBL3261238 0.71 F7 (0.49) F2KDM4EALDH1A1
SCHEMBL7364554 0.70 F2 (0.57) F2PRSS1
SCHEMBL5475081 0.68 KDM4E (0.47) F2PRSS1KDM4EALDH1A1MAPT
SCHEMBL28434989 0.67 MAOB (0.50) F2PRSS1ALDH1A1MAOBPGK1

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
EP-1267876-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
WO-2001070229-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-09-27 WO disclosed