SCHEMBL27469816

SCHEMBL27469816

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccc(C(=N)N)cc1)C(=O)[C@@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.45
TMPRSS11D O60235 3/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
CTSC P53634 1/20 0.38
MASP2 O00187 2/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
Hydrochloric Acid SCHEMBL27584409 0.99 F2 (0.45) F2TMPRSS11DTMPRSS6CTSCMASP2
SCHEMBL27456282 0.86 F2 (0.47) F2CTSCMASP2F10
Hydrochloric Acid SCHEMBL27763761 0.85 F2 (0.47) F2CTSCMASP2F10
SCHEMBL27544516 0.83 CTSC (0.41) F2CTSCMASP2
Hydrochloric Acid SCHEMBL27584408 0.83 F2 (0.41) F2CTSCMASP2
SCHEMBL27492856 0.79 F2 (0.41) F2MASP2F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL27602224 0.79 F2 (0.41) F2MASP2F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL27602241 0.77 SCN4A (0.40) F2MASP2PLG
SCHEMBL21067674 0.75 F2 (0.39) F2MASP2
SCHEMBL21067757 0.74 CTSC (0.47) CTSC

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
CN-1515550-A Thrombosis resisting preparation 2004-07-28 CN claimed
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN claimed