SCHEMBL7808994

SCHEMBL7808994

Cc1cnc(NCCc2ccncc2)c(=O)n1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.74
PRSS1 P07477 8/20 0.63
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
MASP2 O00187 1/20 0.52

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
SCHEMBL3238624 0.91 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL5885528 0.89 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL7159962 0.82 F2 (0.70) F2PRSS1
SCHEMBL8186956 0.81 F2 (0.57) F2PRSS1PRSS2PRSS3
SCHEMBL31742245 0.81 F2 (0.70) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7025245 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL31742242 0.80 F2 (0.67) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7406265 0.79 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL5474694 0.79 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL7448903 0.79 F2 (0.60) F2PRSS1PRSS2PRSS3

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-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed