SCHEMBL6164867

SCHEMBL6164867

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
GHSR Q92847 1/20 0.47
HCRTR2 O43614 2/20 0.46
MMP9 P14780 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
KMT2A Q03164 1/20 0.45
TACR1 P25103 4/20 0.45
ERAP2 Q6P179 1/20 0.45
TMPRSS2 O15393 1/20 0.45
ACE P12821 1/20 0.45
UGCG Q16739 2/20 0.44
CYP3A4 P08684 1/20 0.44
P2RY12 Q9H244 1/20 0.44
CTSL P07711 1/20 0.44
TACR2 P21452 1/20 0.44

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
SCHEMBL6160679 1.00 OPRM1 (0.47) OPRM1GHSRHCRTR2MMP9ITGB2
SCHEMBL6162248 0.94 GHSR (0.49) OPRM1GHSRMMP9TACR1ERAP2
SCHEMBL6162240 0.94 GHSR (0.49) OPRM1GHSRMMP9TACR1ERAP2
Hydrochloric Acid SCHEMBL6162586 0.93 GHSR (0.49) OPRM1GHSRMMP9TACR1ERAP2
Hydrochloric Acid SCHEMBL6162592 0.93 GHSR (0.49) OPRM1GHSRMMP9TACR1ERAP2
Hydrochloric Acid SCHEMBL6163083 0.90 ITGB2 (0.47) OPRM1GHSRHCRTR2ITGB2ICAM1
Hydrochloric Acid SCHEMBL6163089 0.90 ITGB2 (0.47) OPRM1GHSRHCRTR2ITGB2ICAM1
SCHEMBL6163376 0.89 MEN1 (0.46) HCRTR2MMP9ITGB2ICAM1ITGAL
SCHEMBL6163388 0.89 MEN1 (0.46) HCRTR2MMP9ITGB2ICAM1ITGAL
SCHEMBL6163306 0.87 GHSR (0.56) OPRM1GHSRMMP9KMT2AACE

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 8 patents. 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 claimed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP claimed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO claimed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed