SCHEMBL8792189

SCHEMBL8792189

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.53
OPRM1 P35372 1/20 0.53
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TACR1 P25103 1/20 0.46
KCNT1 Q5JUK3 1/20 0.46
ACE P12821 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL6491342 1.00 GHSR (0.53) GHSROPRM1GAAMAPTHTT
SCHEMBL8790279 0.92 MAPT (0.46) GHSROPRM1GAAMAPTHTT
SCHEMBL6481968 0.89 HDAC8 (0.44) GHSROPRM1GAAMAPTHTT
SCHEMBL6480650 0.88 GHSR (0.51) GHSROPRM1ACE
SCHEMBL6484182 0.87 MMP1 (0.50) GAAMAPTHTTCTSLTACR1
SCHEMBL8790317 0.86 GHSR (0.61) GHSROPRM1GAAMAPTHTT
SCHEMBL8790623 0.85 MMP2 (0.44) GAAMAPTHTTCTSLCTSS
SCHEMBL8790632 0.85 MMP2 (0.44) GAAMAPTHTTCTSLCTSS
SCHEMBL8789119 0.84 MAPT (0.44) GAAMAPTHTTCTSLCTSS
SCHEMBL6495989 0.84 MAPT (0.45) GAAMAPTHTTCTSLTACR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669830-A4 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1997-02-26 EP claimed
EP-0669830-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-09-06 EP claimed
WO-1994011012-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-05-26 WO claimed
WO-1994011012-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-05-26 WO disclosed