SCHEMBL9725882

SCHEMBL9725882

CCCO[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.43
MMP2 P08253 7/20 0.43
MMP1 P03956 2/20 0.43
BCHE P06276 1/20 0.42
MMP9 P14780 5/20 0.42
MMP8 P22894 5/20 0.42
NMBR P28336 3/20 0.42
PSMB8 P28062 2/20 0.41
PSMB9 P28065 2/20 0.41
PSMB5 P28074 1/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL9725888 0.81 REN (0.47) REN
SCHEMBL9725823 0.81 REN (0.47) REN
SCHEMBL9725820 0.71 REN (0.49) REN
SCHEMBL9849679 0.69 METAP2 (0.42) REN
SCHEMBL9849682 0.69 METAP2 (0.42) REN
SCHEMBL9741102 0.69 MMP2 (0.57) RENMMP2MMP1MMP9MMP8
SCHEMBL7278377 0.68 PSEN1 (0.46) REN
SCHEMBL7278381 0.68 PSEN1 (0.46) REN
SCHEMBL7288300 0.68 REN (0.47) REN
SCHEMBL7288303 0.68 REN (0.47) REN

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
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US claimed