SCHEMBL7369348

SCHEMBL7369348

Cc1cnc(NCC(F)(F)c2cccc[n+]2[O-])c(=O)n1CC(=O)NCc1ccccc1F

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.82
PRSS1 P07477 1/20 0.65

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
SCHEMBL7371116 0.90 F2 (1.00) F2PRSS1
Hydrochloric Acid SCHEMBL7369618 0.88 F2 (0.78) F2PRSS1
SCHEMBL7403262 0.84 F2 (0.63) F2
Hydrochloric Acid SCHEMBL7372665 0.82 F2 (0.98) F2PRSS1
Hydrochloric Acid SCHEMBL7444454 0.81 F2 (0.83) F2PRSS1
SCHEMBL7371044 0.81 F2 (0.83) F2PRSS1
SCHEMBL7361823 0.81 F2 (0.83) F2PRSS1
SCHEMBL7718502 0.81 F2 (0.86) F2PRSS1
SCHEMBL7719594 0.80 F2 (1.00) F2PRSS1
SCHEMBL7371680 0.80 F2 (0.80) F2PRSS1

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-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed