SCHEMBL7439747

SCHEMBL7439747

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 12/20 0.35
ITGA2B P08514 12/20 0.35
HPGD P15428 1/20 0.35
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
CHRM1 P11229 1/20 0.33
EPHX1 P07099 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL7437044 0.98 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7439734 0.92 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7440116 0.92 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7444296 0.92 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7467594 0.92 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7442706 0.88 KMT2A (0.46) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7437958 0.88 KMT2A (0.46) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7440764 0.88 KMT2A (0.46) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7459678 0.88 KMT2A (0.41) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7446600 0.87 STS (0.42) MEN1ALDH1A1MAPTKMT2AITGB3

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