SCHEMBL7318088

SCHEMBL7318088

CC1CCN(C(=O)[C@H](CCCSc2ncc[nH]2)NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.62
CCR10 P46092 3/20 0.49
PRSS1 P07477 5/20 0.48
PLAU P00749 1/20 0.45

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
SCHEMBL7318094 1.00 F2 (0.62) F2CCR10PRSS1PLAU
SCHEMBL7312092 0.92 F2 (0.67) F2PRSS1
SCHEMBL7312081 0.92 F2 (0.67) F2PRSS1
SCHEMBL7318613 0.87 F2 (0.65) F2CCR10PRSS1PLAU
SCHEMBL7318620 0.87 F2 (0.65) F2CCR10PRSS1PLAU
SCHEMBL9061486 0.85 F2 (0.72) F2CCR10PRSS1
SCHEMBL7311095 0.85 F2 (0.62) F2CCR10PRSS1
SCHEMBL7311091 0.85 F2 (0.62) F2CCR10PRSS1
SCHEMBL7333845 0.83 F2 (0.69) F2CCR10PLAU
SCHEMBL7333850 0.83 F2 (0.69) F2CCR10PLAU

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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