SCHEMBL7536738

SCHEMBL7536738

CC(CNC(=O)C[C@@H](Cc1ccccc1)C(N)=O)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.42
FCER2 P06734 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MME P08473 2/20 0.39
ANPEP P15144 2/20 0.39
LTA4H P09960 2/20 0.39
ECE1 P42892 1/20 0.39
MMP2 P08253 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL12011595 0.75 NISCH (0.49) ADRA2AADRA2BADRA2C
SCHEMBL7536749 0.74 HRH4 (0.41) HRH4
SCHEMBL7536743 0.74 HRH4 (0.41) HRH4
SCHEMBL7430897 0.72 ALDH1A1 (0.59) MMP1FCER2L3MBTL1
SCHEMBL7539920 0.69 KMT2A (0.47) L3MBTL1
SCHEMBL7539935 0.69 KMT2A (0.47) L3MBTL1
SCHEMBL7241843 0.68 CYP1A2 (0.53) ANPEPRNPEPDNPEPL3MBTL1
SCHEMBL7241840 0.68 CYP1A2 (0.53) ANPEPRNPEPDNPEPL3MBTL1
SCHEMBL7430223 0.68 GAA (0.60)
SCHEMBL391686 0.67 CYP1A2 (0.47) MMP1MMP3MMP7ADRA2AADRA2B

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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed