SCHEMBL6161580

SCHEMBL6161580

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(C(=O)Nc3ccccc3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 2/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE P12821 1/20 0.43
TP53 P04637 1/20 0.43
TACR2 P21452 1/20 0.43
F10 P00742 1/20 0.42
ERAP2 Q6P179 1/20 0.42
P2RY12 Q9H244 1/20 0.42

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
SCHEMBL6161589 1.00 MEN1 (0.45) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6163815 0.93 MEN1 (0.47) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6163811 0.93 MEN1 (0.47) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6163376 0.91 MEN1 (0.46) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6163388 0.91 MEN1 (0.46) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6162200 0.91 MEN1 (0.45) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6162193 0.91 MEN1 (0.45) MEN1KMT2ATACR1ITGB2ICAM1
SCHEMBL6160909 0.88 CTSL (0.50) MEN1KMT2ATACR1CTSLCTSS
SCHEMBL6166772 0.88 MEN1 (0.47) MEN1KMT2ATACR1CTSLCTSS
SCHEMBL6166766 0.88 MEN1 (0.47) MEN1KMT2ATACR1CTSLCTSS

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed