SCHEMBL7312092

SCHEMBL7312092

COc1ccc2ccc(S(=O)(=O)NC(CCCSc3ncc[nH]3)C(=O)N3CCC(C)CC3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.67
PRSS1 P07477 8/20 0.59

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
SCHEMBL7312081 1.00 F2 (0.67) F2PRSS1
SCHEMBL7318094 0.92 F2 (0.62) F2PRSS1
SCHEMBL7318088 0.92 F2 (0.62) F2PRSS1
SCHEMBL7312174 0.80 F2 (0.79) F2PRSS1
SCHEMBL7329427 0.80 F2 (1.00) F2PRSS1
SCHEMBL7312181 0.80 F2 (0.79) F2PRSS1
SCHEMBL7329419 0.80 F2 (1.00) F2PRSS1
SCHEMBL9061486 0.79 F2 (0.72) F2PRSS1
SCHEMBL7318620 0.79 F2 (0.65) F2PRSS1
SCHEMBL7318613 0.79 F2 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US claimed
US-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed