SCHEMBL6161482

SCHEMBL6161482

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
GHSR Q92847 3/20 0.45
OPRM1 P35372 1/20 0.45
AIMP2 Q13155 1/20 0.43
UGCG Q16739 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
ACE P12821 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6161487 1.00 ALDH1A1 (0.48) ALDH1A1MAPTGAAMMP2MMP9
Hydrochloric Acid SCHEMBL6161152 0.99 ALDH1A1 (0.47) ALDH1A1MAPTGAAMMP2MMP9
Hydrochloric Acid SCHEMBL6161150 0.99 ALDH1A1 (0.47) ALDH1A1MAPTGAAMMP2MMP9
SCHEMBL6165094 0.90 GHSR (0.49) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6165098 0.90 GHSR (0.49) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6164567 0.89 ALDH1A1 (0.46) ALDH1A1MAPTGAAMMP2MMP9
SCHEMBL8412738 0.89 ALDH1A1 (0.46) ALDH1A1MAPTGAAMMP2MMP9
Hydrochloric Acid SCHEMBL6162564 0.89 GHSR (0.49) MMP2MMP9MMP8GHSROPRM1
Hydrochloric Acid SCHEMBL6162898 0.89 GHSR (0.49) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6163995 0.86 GHSR (0.46) MMP2MMP9GHSROPRM1UGCG

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 claimed