Sugi Predict

Sugi Predict / Compounds / SCHEMBL7375308

SCHEMBL7375308

SCHEMBL7375308

CC(=O)N(CC(C(=O)O)C(c1ccccc1)c1ccccc1)N1CCC[C@@H](CCc2ccncc2)C1=O.CC(=O)N(C[C@H](C(=O)O)c1cccc2ccccc12)N1CCC[C@@H](CCc2ccncc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.32
▸ ITGAV P06756 2/20 0.32
▸ ACE P12821 1/20 0.31
▸ CASR P41180 1/20 0.30
▸ CHRM1 P11229 1/20 0.30

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
SCHEMBL8103481 0.77 ITGB3 (0.35) ITGB3ACE
SCHEMBL8620398 0.75 MC4R (0.33) ACE
SCHEMBL7341454 0.74 TACR1 (0.38) ITGB3
SCHEMBL7374011 0.74 DPP4 (0.36) —
SCHEMBL8621139 0.74 ITGB3 (0.37) ITGB3ITGAV
Hydrochloric Acid SCHEMBL8619234 0.73 ITGB3 (0.36) ITGB3ITGAV
SCHEMBL8619349 0.73 ACE2 (0.36) —
SCHEMBL7371949 0.72 ACE (0.35) ACE
SCHEMBL8618344 0.70 ITGB3 (0.35) ITGB3ITGAV
SCHEMBL8619314 0.70 MTNR1A (0.40) ITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 — — EP claimed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 — — EP claimed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 — — WO claimed