SCHEMBL7450740

SCHEMBL7450740

C#CC(CC(=O)OCC)NC(=O)[C@@H]1CCCN(C(=O)/C=C(\C)C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.35
F2R P25116 1/20 0.35

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
SCHEMBL7441386 0.90 ITGB3 (0.44) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7440109 0.88 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7444290 0.88 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7439730 0.88 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7465076 0.85 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7452040 0.85 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7450745 0.85 GAA (0.42) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7499666 0.85 ITGB3 (0.50) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7500015 0.85 ITGB3 (0.50) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7445602 0.84 ALDH1A1 (0.38) MEN1KMT2AHPGDALDH1A1MAPT

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