SCHEMBL6163982

SCHEMBL6163982

CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)C(C)(C)N)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.46
OPRM1 P35372 1/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
UGCG Q16739 2/20 0.42
CYP3A4 P08684 1/20 0.42
ACE P12821 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
PKM P14618 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
F2 P00734 2/20 0.40

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
SCHEMBL6163995 1.00 GHSR (0.46) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6161046 0.99 GHSR (0.46) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6161045 0.99 GHSR (0.46) GHSROPRM1CA12CA1CA9
SCHEMBL6165098 0.92 GHSR (0.49) GHSROPRM1CA12CA1CA9
SCHEMBL6165094 0.92 GHSR (0.49) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6162564 0.91 GHSR (0.49) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6162898 0.91 GHSR (0.49) GHSROPRM1CA12CA1CA9
SCHEMBL6161482 0.86 ALDH1A1 (0.48) GHSROPRM1UGCGCYP3A4ACE
SCHEMBL6161161 0.86 KCNA1 (0.51) GHSROPRM1MMP2MMP9
SCHEMBL6161487 0.86 ALDH1A1 (0.48) GHSROPRM1UGCGCYP3A4ACE

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