SCHEMBL8790632

SCHEMBL8790632

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 1/20 0.43
MMP1 P03956 1/20 0.43
BRS3 P32247 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
KCNT1 Q5JUK3 1/20 0.41
TACR3 P29371 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
SCHEMBL8790623 1.00 MMP2 (0.44) MMP2MMP9MMP8GAAMAPT
SCHEMBL8789119 0.94 MAPT (0.44) MMP2MMP9MMP8GAAMAPT
SCHEMBL8790279 0.89 MAPT (0.46) MMP2MMP9MMP8GAAMAPT
SCHEMBL9421662 0.88 MMP2 (0.49) MMP2MMP9MMP8GAAMAPT
SCHEMBL9421665 0.88 MMP2 (0.49) MMP2MMP9MMP8GAAMAPT
SCHEMBL6491342 0.85 GHSR (0.53) MMP2MMP9MMP8GAAMAPT
SCHEMBL8792189 0.85 GHSR (0.53) MMP2MMP9MMP8GAAMAPT
SCHEMBL9421664 0.84 TACR1 (0.47) MMP2MMP9MMP8GAAMAPT
SCHEMBL9421668 0.84 TACR1 (0.47) MMP2MMP9MMP8GAAMAPT
SCHEMBL8790284 0.84 PSMB5 (0.39) MMP9MMP8MMP1CTSSCTSK

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