SCHEMBL7915919

SCHEMBL7915919

O=C(O)CC(NC(=O)CN1CCC(CCc2ccc3c(n2)NCCC3)C1=O)c1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 1/20 1.00

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
SCHEMBL7553511 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7924358 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL7924352 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL7924362 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL13936149 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7514286 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7514277 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7447492 0.83 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6422671 0.81 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL6420863 0.81 ITGB3 (1.00) ITGB3ITGAV

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-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US claimed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US disclosed