SCHEMBL7445223

SCHEMBL7445223

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM1 P11229 3/20 0.37
GLS O94925 1/20 0.36
HTT P42858 1/20 0.35
ITGB3 P05106 8/20 0.35
ITGA2B P08514 8/20 0.35
ACKR3 P25106 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM1A O60341 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL7445607 0.97 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7452048 0.87 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7440116 0.86 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7467594 0.86 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7439734 0.86 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7444296 0.86 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7445225 0.85 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7445217 0.84 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7450741 0.84 KMT2A (0.44) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7500017 0.82 ITGB3 (0.48) 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