SCHEMBL7407648

SCHEMBL7407648

CC(C)(C)OC(=O)NC(CCNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
F2 P00734 3/20 0.47
CTSS P25774 1/20 0.46
PKM P14618 1/20 0.45
TPSAB1 Q15661 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
F10 P00742 1/20 0.44
TGM2 P21980 1/20 0.42
BDKRB1 P46663 1/20 0.41

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
SCHEMBL6792561 0.94 ACACB (0.52) ACACBF2CTSSPKMPLG
SCHEMBL6794066 0.88 ACACB (0.54) ACACBF2CTSSPLGPLAU
Hydrochloric Acid SCHEMBL6786786 0.81 F2 (0.54) F2CTSSTPSAB1PLGPLAU
Hydrochloric Acid SCHEMBL7399765 0.80 F2 (0.58) F2CTSSPKMTPSAB1PLG
SCHEMBL6786683 0.80 ACACB (0.64) ACACBF2CTSSPKMTPSAB1
SCHEMBL6787163 0.80 F10 (0.55) ACACBF2PLGPLAUF10
SCHEMBL6792223 0.78 TGM2 (0.52) F2CTSSPLGPLAUF10
SCHEMBL6787527 0.78 PLG (0.54) F2CTSSTPSAB1PLGPLAU
SCHEMBL6786112 0.77 PLG (0.51) F2CTSSPLGPLAUF10
Hydrochloric Acid SCHEMBL6790131 0.77 F2 (0.54) F2CTSSTPSAB1PLGPLAU

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-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed