SCHEMBL8719573

SCHEMBL8719573

NN=CN1CCOC(CNC(=O)CC(C(=O)N(CCc2nnn[nH]2)C2CC2)S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.36
KCNA5 P22460 1/20 0.32
LMNA P02545 1/20 0.30
TRPA1 O75762 4/20 0.30

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
SCHEMBL7304748 1.00 F2 (0.36) F2KCNA5LMNATRPA1
SCHEMBL7305824 0.89 F2 (0.44) F2
SCHEMBL8947808 0.89 F2 (0.44) F2
SCHEMBL7300388 0.86 F2 (0.39) F2KCNA5LMNATRPA1
Hydrochloric Acid SCHEMBL8947543 0.85 F2 (0.40) F2KCNA5LMNATRPA1
SCHEMBL8947908 0.80 F2 (0.36) F2KCNA5LMNATRPA1
SCHEMBL8947778 0.78 F2 (0.41) F2
SCHEMBL8947774 0.78 F2 (0.41) F2
Hydrochloric Acid SCHEMBL9168683 0.76 F2 (0.46) F2
Hydrochloric Acid SCHEMBL8721887 0.76 F2 (0.46) F2

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
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
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed