SCHEMBL6161596

SCHEMBL6161596

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
DNMT1 P26358 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR1 P25103 2/20 0.44
CTSL P07711 5/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
ACE P12821 1/20 0.42
TP53 P04637 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
SCHEMBL6161592 1.00 ITGB2 (0.45) ITGB2ICAM1ITGALDNMT1MEN1
SCHEMBL6160909 0.89 CTSL (0.50) MEN1KMT2ATACR1CTSLCTSS
SCHEMBL6163734 0.89 TACR1 (0.48) MEN1KMT2ATACR1CTSLCTSS
SCHEMBL6163736 0.89 TACR1 (0.48) MEN1KMT2ATACR1CTSLCTSS
SCHEMBL6161694 0.88 MEN1 (0.45) MEN1KMT2ATACR1CTSLCTSS
SCHEMBL6163811 0.85 MEN1 (0.47) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6163815 0.85 MEN1 (0.47) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6163388 0.85 MEN1 (0.46) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6163376 0.85 MEN1 (0.46) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6162193 0.84 MEN1 (0.45) ITGB2ICAM1ITGALMEN1KMT2A

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