SCHEMBL6163927

SCHEMBL6163927

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N2CCOCC2)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
MMP8 P22894 3/20 0.52
GHSR Q92847 5/20 0.49
OPRM1 P35372 1/20 0.49
ACE P12821 1/20 0.47
PKM P14618 1/20 0.46
UGCG Q16739 2/20 0.46
CYP3A4 P08684 1/20 0.46
TACR2 P21452 2/20 0.45
TACR1 P25103 2/20 0.45
CCKBR P32239 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL6163934 1.00 MMP2 (0.52) MMP2MMP9MMP8GHSROPRM1
Hydrochloric Acid SCHEMBL6164382 0.99 MMP2 (0.52) MMP2MMP9MMP8GHSROPRM1
Hydrochloric Acid SCHEMBL6165097 0.99 MMP2 (0.52) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6161549 0.93 GHSR (0.51) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6161552 0.93 GHSR (0.51) MMP2MMP9MMP8GHSROPRM1
Hydrochloric Acid SCHEMBL6163069 0.92 GHSR (0.50) MMP2MMP9MMP8GHSROPRM1
Hydrochloric Acid SCHEMBL6163630 0.92 GHSR (0.50) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6161913 0.90 GHSR (0.54) MMP2MMP9MMP8GHSROPRM1
SCHEMBL6161921 0.90 GHSR (0.54) MMP2MMP9MMP8GHSROPRM1
Hydrochloric Acid SCHEMBL6163064 0.88 GHSR (0.49) MMP2MMP9MMP8GHSROPRM1

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