SCHEMBL8905182

SCHEMBL8905182

CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.45
CTSK P43235 1/20 0.41
ADAM17 P78536 4/20 0.39
TSHR P16473 1/20 0.39
MME P08473 3/20 0.39
ACE2 Q9BYF1 3/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CTSC P53634 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGDS O60760 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6317001 0.87 GHSR (0.48) GHSRMMEACE2ACECPA1
SCHEMBL6324685 0.87 ALDH1A1 (0.49) MMEACE2ACECPA1MMP2
SCHEMBL6319028 0.87 ALDH1A1 (0.49) MMEACE2ACECPA1MMP2
SCHEMBL8904944 0.81 MMP2 (0.46) CTSKADAM17MMP2MMP9MMP8
SCHEMBL6317903 0.80 GHSR (0.44) GHSRADAM17CTSCHPGDS
SCHEMBL8906561 0.80 MME (0.40) MMEACE2ACECPA1MMP2
SCHEMBL7648964 0.80 GHSR (0.58) GHSRCTSKADAM17MMEHPGDS
SCHEMBL6318779 0.80 GHSR (0.72) GHSRMMEACE2ACECPA1
SCHEMBL6318768 0.80 GHSR (0.72) GHSRMMEACE2ACECPA1
SCHEMBL6317191 0.80 GHSR (0.49) GHSRCTSKADAM17MMEACE2

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
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed