SCHEMBL6160782

SCHEMBL6160782

CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
ITGB2 P05107 2/20 0.61
ICAM1 P05362 2/20 0.61
ITGAL P20701 2/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
ACE P12821 4/20 0.56
MAPK1 P28482 1/20 0.55
ECE1 P42892 1/20 0.55
ALOX15 P16050 1/20 0.53

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
SCHEMBL6162223 1.00 MEN1 (0.73) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL19203559 0.89 MEN1 (0.61) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL27885201 0.85 ITGB2 (0.61) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL27885198 0.85 ITGB2 (0.61) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL31606500 0.84 ITGB2 (0.62) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL31036081 0.84 ITGB2 (0.71) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6164202 0.83 MEN1 (0.58) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6164208 0.83 MEN1 (0.58) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6161756 0.83 CALCRL (0.67) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL8409714 0.83 CALCRL (0.67) MEN1KMT2AHDAC3HDAC4HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721455-B9 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2005-04-20 EP claimed
EP-0721455-B1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2002-12-11 EP claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed