SCHEMBL7445083

SCHEMBL7445083

C[C@@H]1Nc2cc(C(=O)NCc3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.48
ITGA2B P08514 11/20 0.48
MASP2 O00187 2/20 0.43
ITGAV P06756 4/20 0.43
ALDH1A1 P00352 1/20 0.41
RORC P51449 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL6949743 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6949753 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7602811 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7442994 0.88 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7436720 0.86 ITGB3 (0.63) ITGB3ITGA2BITGAVALDH1A1
Hydrochloric Acid SCHEMBL7661177 0.85 ITGB3 (0.62) ITGB3ITGA2BITGAVALDH1A1
SCHEMBL7398290 0.84 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6953362 0.83 ITGB3 (0.43) ITGB3ITGA2BMASP2ITGAVALDH1A1
SCHEMBL6950146 0.83 ITGB3 (0.54) ITGB3ITGA2BMASP2ITGAVRORC
SCHEMBL6675230 0.83 ITGB3 (0.54) ITGB3ITGA2BMASP2ITGAVRORC

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-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed