SCHEMBL6982747

SCHEMBL6982747

CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.57
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 0.57
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL6984269 0.96 F10 (0.54) F10F2PRSS1
SCHEMBL2707140 0.88 F2 (0.59) F10F2PRSS1CA1CA2
SCHEMBL13259958 0.88 F2 (0.59) F10F2PRSS1CA1CA2
SCHEMBL203869 0.88 F2 (0.59) F10F2PRSS1CA1CA2
SCHEMBL203868 0.88 F2 (0.59) F10F2PRSS1CA1CA2
SCHEMBL3724402 0.86 F2 (0.56) F10F2PRSS1
SCHEMBL5640985 0.86 F2 (0.56) F10F2PRSS1
SCHEMBL12525646 0.85 MMP1 (0.55) F10F2PRSS1
SCHEMBL12494289 0.85 MMP1 (0.55) F10F2PRSS1
SCHEMBL9608921 0.85 F10 (0.60) F10F2PRSS1

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
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed