SCHEMBL7448601

SCHEMBL7448601

N=C(N)c1ccc(N2CCN(CC(=O)NC(CC(=O)O)c3ccc4c(c3)OCO4)C(=O)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.61
ITGA2B P08514 13/20 0.61
ITGAV P06756 5/20 0.45
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40

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 SCHEMBL7651705 0.99 ITGB3 (0.60) ITGB3ITGA2BITGAVTP53LMNA
SCHEMBL7446071 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVTP53LMNA
Acetic Acid SCHEMBL7660336 0.89 ITGB3 (0.48) ITGB3ITGA2BITGAVTP53LMNA
SCHEMBL7450039 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAVTP53LMNA
SCHEMBL7454860 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAVTP53LMNA
SCHEMBL7454863 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAVTP53LMNA
Hydrochloric Acid SCHEMBL7661809 0.83 ITGB3 (0.60) ITGB3ITGA2BITGAVGAA
SCHEMBL7660276 0.81 ITGB3 (0.40) ITGB3ITGA2BTP53LMNA
SCHEMBL7660272 0.81 ITGB3 (0.40) ITGB3ITGA2BTP53LMNA
SCHEMBL7653874 0.80 ITGB3 (0.39) ITGB3ITGA2BITGAVTP53LMNA

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-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US claimed
EP-1098888-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000004000-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed