SCHEMBL9725823

SCHEMBL9725823

CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](OCCN(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.47
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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 0.91 REN (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9725882 0.81 REN (0.43) REN
SCHEMBL9725820 0.79 REN (0.49) REN
SCHEMBL7288300 0.78 REN (0.47) REN
SCHEMBL7288303 0.78 REN (0.47) REN
SCHEMBL7277290 0.73 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7277296 0.73 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9725796 0.73 REN (0.43) REN
SCHEMBL9725744 0.73 REN (0.47) REN
SCHEMBL7268091 0.71 REN (0.46) RENPSEN1PSEN2APH1BNCSTN

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