SCHEMBL7328019

SCHEMBL7328019

CC1CCN(C(=O)[C@H](CCCNc2ccncc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.76
PRSS1 P07477 5/20 0.51
CCR10 P46092 1/20 0.48

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
SCHEMBL7328030 1.00 F2 (0.76) F2PRSS1CCR10
SCHEMBL7332843 0.89 F2 (0.77) F2PRSS1CCR10
SCHEMBL7332835 0.89 F2 (0.77) F2PRSS1CCR10
SCHEMBL7335107 0.88 F2 (0.78) F2PRSS1CCR10
SCHEMBL7335099 0.88 F2 (0.78) F2PRSS1CCR10
SCHEMBL7331595 0.88 F2 (0.88) F2PRSS1CCR10
SCHEMBL7331601 0.88 F2 (0.88) F2PRSS1CCR10
SCHEMBL7337111 0.86 F2 (1.00) F2PRSS1CCR10
SCHEMBL7337117 0.86 F2 (1.00) F2PRSS1CCR10
SCHEMBL9061486 0.85 F2 (0.72) F2PRSS1CCR10

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-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US claimed
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed