SCHEMBL7445225

SCHEMBL7445225

C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)/C=C/CC2CCCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2R P25116 1/20 0.36
GLS O94925 1/20 0.36
HTT P42858 1/20 0.35
ACKR3 P25106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM1 P11229 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7445610 0.96 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7452051 0.86 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7445217 0.86 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7445223 0.85 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7444301 0.85 GAA (0.41) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7467602 0.85 GAA (0.41) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7450745 0.83 GAA (0.42) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7445607 0.82 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7445602 0.82 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7501427 0.81 ITGB3 (0.51) ALDH1A1MEN1MAPTKMT2AITGB3

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