SCHEMBL7318613

SCHEMBL7318613

CC1CCN(C(=O)[C@H](CCCSc2ccccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.65
PRSS1 P07477 5/20 0.49
CCR10 P46092 2/20 0.49
PLAU P00749 1/20 0.47

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
SCHEMBL7318620 1.00 F2 (0.65) F2PRSS1CCR10PLAU
SCHEMBL7315771 0.87 F2 (0.67) F2PRSS1CCR10PLAU
SCHEMBL7315765 0.87 F2 (0.67) F2PRSS1CCR10PLAU
SCHEMBL7318094 0.87 F2 (0.62) F2PRSS1CCR10PLAU
SCHEMBL7318088 0.87 F2 (0.62) F2PRSS1CCR10PLAU
SCHEMBL7311091 0.87 F2 (0.62) F2PRSS1CCR10
SCHEMBL7311095 0.87 F2 (0.62) F2PRSS1CCR10
SCHEMBL7331595 0.85 F2 (0.88) F2PRSS1CCR10PLAU
SCHEMBL7331601 0.85 F2 (0.88) F2PRSS1CCR10PLAU
SCHEMBL7332835 0.84 F2 (0.77) F2PRSS1CCR10PLAU

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