SCHEMBL7450741

SCHEMBL7450741

C#C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)/C=C(\C)C2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
CHRM1 P11229 3/20 0.38
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
TSHR P16473 2/20 0.36
EPHX1 P07099 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL7441390 0.91 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7439734 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7440116 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7444296 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7467594 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7465083 0.85 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7452048 0.85 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7500017 0.85 ITGB3 (0.48) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7499673 0.85 ITGB3 (0.48) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7501423 0.85 ITGB3 (0.48) KMT2AMEN1ALDH1A1MAPTHPGD

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed