SCHEMBL8717221

SCHEMBL8717221

CN(Cc1ccccc1)C(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H]([C]=O)CC1CCCN(C=NN)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.46
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PLAU P00749 1/20 0.40
NPY5R Q15761 1/20 0.40

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
Hydrochloric Acid SCHEMBL9252332 0.79 F2 (0.47) F2F10PLGPLATPRSS1
Acetic Acid SCHEMBL8947565 0.73 F2 (0.53) F2
Acetic Acid SCHEMBL8721804 0.71 F2 (0.43) F2F10PLGPLATPRSS1
Acetic Acid SCHEMBL8719567 0.71 F2 (0.43) F2F10PLGPLATPRSS1
SCHEMBL7306964 0.70 F2 (0.60) F2NPY5R
Acetic Acid SCHEMBL8947746 0.70 F2 (0.58) F2NPY5R
SCHEMBL7300995 0.70 F2 (0.43) F2
SCHEMBL9003182 0.70 F2 (0.60) F2
Acetic Acid SCHEMBL8720013 0.69 F2 (0.43) F2F10PLGPLATPRSS1
Acetic Acid SCHEMBL8719928 0.69 F2 (0.43) F2F10PLGPLATPRSS1

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
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed