SCHEMBL7445217

SCHEMBL7445217

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
GAA P10253 1/20 0.35
F2R P25116 2/20 0.35
GLS O94925 1/20 0.35
CHRM1 P11229 2/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 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
SCHEMBL7445602 0.96 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7452040 0.86 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7444290 0.86 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7440109 0.86 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7439730 0.86 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7445225 0.86 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7445223 0.84 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7450740 0.83 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AITGB3
SCHEMBL7445610 0.82 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7499666 0.81 ITGB3 (0.50) ALDH1A1MAPTMEN1KMT2AITGB3

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