SCHEMBL9739660

SCHEMBL9739660

CC(=O)c1ccc([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)NCc2ccccn2)Cc2cccc3ccccc23)o1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.51
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSE P14091 2/20 0.42
CTSD P07339 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL9739657 1.00 REN (0.51) RENMAPK1SMN1; SMN2CTSECTSD
SCHEMBL9741221 0.89 REN (0.45) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9741213 0.89 REN (0.45) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9849721 0.76 REN (0.48) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9741022 0.76 REN (0.55) REN
SCHEMBL9741017 0.76 REN (0.55) REN
SCHEMBL9742942 0.76 REN (0.54) REN
SCHEMBL9742947 0.76 REN (0.54) REN
SCHEMBL9741102 0.72 MMP2 (0.57) REN
SCHEMBL9740414 0.72 REN (0.56) 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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US claimed