SCHEMBL7302335

SCHEMBL7302335

CC(C)Cc1cccc(C[C@H]2CN([C@@H](Cc3c[nH]cn3)C(N)=O)C(=O)N2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.33
ICAM1 P05362 6/20 0.33
ITGAL P20701 6/20 0.33

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
SCHEMBL7300912 0.93 SLC5A1 (0.31)
SCHEMBL7302866 0.88 ALDH1A1 (0.36) ITGB2ICAM1ITGAL
SCHEMBL7291911 0.82 ALOX15 (0.37)
SCHEMBL7298731 0.72 HSD11B1 (0.43) ITGB2ICAM1ITGAL
SCHEMBL7294550 0.72 ALDH1A1 (0.35)
SCHEMBL7296204 0.72 HSD11B1 (0.43) ITGB2ICAM1ITGAL
SCHEMBL9835659 0.69 BACE1 (0.37) ITGB2ICAM1ITGAL
SCHEMBL3565608 0.66 LMNA (0.32)
SCHEMBL7302874 0.66 ROCK2 (0.41)
SCHEMBL7295669 0.66 ROCK2 (0.41)

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
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed