SCHEMBL6165094

SCHEMBL6165094

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.49
OPRM1 P35372 1/20 0.49
ACE P12821 1/20 0.45
UGCG Q16739 2/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 2/20 0.44
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 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
SCHEMBL6165098 1.00 GHSR (0.49) GHSROPRM1ACEUGCGCYP3A4
Hydrochloric Acid SCHEMBL6162564 0.99 GHSR (0.49) GHSROPRM1ACEUGCGCYP3A4
Hydrochloric Acid SCHEMBL6162898 0.99 GHSR (0.49) GHSROPRM1ACEUGCGCYP3A4
SCHEMBL6163029 0.94 ITGB2 (0.46) GHSROPRM1ACEUGCGCYP3A4
SCHEMBL6163033 0.94 ITGB2 (0.46) GHSROPRM1ACEUGCGCYP3A4
Hydrochloric Acid SCHEMBL6162115 0.93 ITGB2 (0.46) GHSROPRM1ACEUGCGCYP3A4
Hydrochloric Acid SCHEMBL6162369 0.93 ITGB2 (0.46) GHSROPRM1ACEUGCGCYP3A4
SCHEMBL6163982 0.92 GHSR (0.46) GHSROPRM1ACEUGCGCYP3A4
SCHEMBL6163995 0.92 GHSR (0.46) GHSROPRM1ACEUGCGCYP3A4
Hydrochloric Acid SCHEMBL6161046 0.91 GHSR (0.46) GHSROPRM1ACEUGCGCYP3A4

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