SCHEMBL7451002

SCHEMBL7451002

N=C(N)c1ccc(N2CCN(CC(=O)NC(CCc3ccccc3)CC(=O)O)C(=O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 16/20 0.48
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL7454754 0.90 ALDH1A1 (0.41) ITGB3ITGA2BALDH1A1KMT2AMEN1
SCHEMBL7449898 0.88 ALDH1A1 (0.40) ITGB3ITGA2BALDH1A1KMT2AMEN1
Acetic Acid SCHEMBL7662510 0.88 F2 (0.47) ITGB3ITGA2BALDH1A1KMT2AMEN1
SCHEMBL7448038 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7449631 0.85 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7447248 0.80 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7658921 0.80 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1KMT2AMEN1
SCHEMBL7658927 0.80 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1KMT2AMEN1
SCHEMBL7455137 0.79 ITGB3 (0.43) ITGB3ITGA2BF10
SCHEMBL7660271 0.79 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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