SCHEMBL7951602

SCHEMBL7951602

C[C@]1(c2ccc(C=NN)cc2)NC(=O)N(CC(=O)N[C@H](CC(=O)O)c2ccccc2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.72
ITGA2B P08514 2/20 0.72
KMT2A Q03164 7/20 0.57
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7961103 1.00 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7951737 1.00 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7966945 1.00 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7969571 0.99 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7960021 0.99 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1MAPT
Acetic Acid SCHEMBL7963605 0.98 ITGB3 (0.70) ITGB3ITGA2BKMT2AMEN1MAPT
Fumaric Acid SCHEMBL6135497 0.97 ITGB3 (0.69) ITGB3ITGA2BKMT2AMEN1MAPT
Maleic Acid SCHEMBL7951564 0.97 ITGB3 (0.69) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL8489060 0.95 ITGB3 (0.65) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7985151 0.93 ITGB3 (0.62) ITGB3ITGA2BKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294562-B1 AMIDINO COMPOUNDS WITH AMIDO ESTERS CARDIOVASCULAR SYSTEM, DISEASES OF THE CORONARY VASCULAR SYSTEM OR THE CEREBROVASCULAR SYSTEM, OR PERIPHERAL ARTERIAL VASCULAR DISEASE HOECHST AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed