SCHEMBL7465083

SCHEMBL7465083

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 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.37
CHRM1 P11229 2/20 0.35
ITGB3 P05106 9/20 0.35
ITGA2B P08514 9/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
EPHX1 P07099 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
SCHEMBL7444328 0.91 KMT2A (0.45) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7467594 0.86 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7440116 0.86 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7439734 0.86 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7444296 0.86 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7450741 0.85 KMT2A (0.44) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7500017 0.83 ITGB3 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7499673 0.83 ITGB3 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7501423 0.83 ITGB3 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7465076 0.83 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2AHPGD

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 1 patent. 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