SCHEMBL6164451

SCHEMBL6164451

CCNC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)C(C)(C)NC(=O)O)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
ERAP2 Q6P179 1/20 0.46
ACE P12821 1/20 0.46
P2RY12 Q9H244 1/20 0.46
F10 P00742 1/20 0.44
TACR1 P25103 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
UGCG Q16739 2/20 0.42
CYP3A4 P08684 1/20 0.42
HCRTR2 O43614 2/20 0.42
CTSL P07711 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
BCHE P06276 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
SCHEMBL6164458 1.00 ITGB2 (0.48) ITGB2ICAM1ITGALERAP2ACE
Hydrochloric Acid SCHEMBL6161493 0.90 ITGB2 (0.48) ITGB2ICAM1ITGALERAP2ACE
Hydrochloric Acid SCHEMBL6161499 0.90 ITGB2 (0.48) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL6163815 0.85 MEN1 (0.47) ITGB2ICAM1ITGALACEF10
SCHEMBL6163811 0.85 MEN1 (0.47) ITGB2ICAM1ITGALACEF10
SCHEMBL6161589 0.84 MEN1 (0.45) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL6161580 0.84 MEN1 (0.45) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL6162200 0.83 MEN1 (0.45) ITGB2ICAM1ITGALACETACR1
SCHEMBL6162193 0.83 MEN1 (0.45) ITGB2ICAM1ITGALACETACR1
Hydrochloric Acid SCHEMBL6160507 0.83 GHSR (0.49) ITGB2ICAM1ITGALERAP2ACE

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