SCHEMBL8909461

SCHEMBL8909461

COc1ccc(CC(C(N)=O)c2c(C(N)=O)c(N(C)C(=O)OCc3ccccc3)cc([C@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)c2C(Cc2c[nH]cn2)C(N)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8908817 0.71 REN (0.38) REN
SCHEMBL8908823 0.67 REN (0.34) REN
Hydrochloric Acid SCHEMBL9800528 0.65 REN (0.52) REN
SCHEMBL9800601 0.64 REN (0.48) RENALDH1A1
SCHEMBL8910252 0.63 KDM4E (0.39) RENMEN1KMT2ANPSR1ALDH1A1
SCHEMBL9800540 0.63 REN (0.49) REN
SCHEMBL8910133 0.63 REN (0.51) REN
SCHEMBL9800598 0.62 REN (0.48) REN
SCHEMBL7328969 0.62 REN (0.52) REN
SCHEMBL8910205 0.62 GPR132 (0.36) 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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed