SCHEMBL8549663

SCHEMBL8549663

CC(=O)NC(CCC(=O)N1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGA2B P08514 11/20 0.47
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
TGM2 P21980 1/20 0.44
CHRM1 P11229 1/20 0.41
CCKBR P32239 2/20 0.41
MMP2 P08253 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL6792014 0.82 ITGB3 (0.70) ITGB3ITGA2BTGM2
SCHEMBL6793170 0.81 DPP7 (0.59) ITGB3ITGA2BDPP4DPP8DPP7
SCHEMBL8543640 0.78 TGM2 (0.40) TGM2
SCHEMBL7123827 0.77 F10 (0.49) ITGB3ITGA2BTGM2
SCHEMBL8542353 0.76 ITGB3 (0.48) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8542083 0.76 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL8543970 0.75 F10 (0.38) ITGB3ITGA2BTGM2
SCHEMBL8543870 0.72 ITGB3 (0.53) ITGB3ITGA2BCHRM1MMP2
SCHEMBL8548990 0.72 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL6600563 0.72 MAPT (0.62) ITGB3ITGA2BCHRM1MMP2

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
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed