SCHEMBL9327709

SCHEMBL9327709

NC1CCN(C(=O)C[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.83

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
SCHEMBL7278425 0.94 REN (0.73) REN
Acetic Acid SCHEMBL9325907 0.93 REN (0.72) REN
SCHEMBL7335944 0.90 REN (0.67) REN
Acetic Acid SCHEMBL9326860 0.89 REN (0.81) REN
Acetic Acid SCHEMBL9325931 0.89 REN (0.82) REN
SCHEMBL7327976 0.84 REN (0.67) REN
SCHEMBL7324174 0.84 REN (0.64) REN
Acetic Acid SCHEMBL9326712 0.83 REN (0.73) REN
SCHEMBL7444035 0.83 REN (0.73) REN
Acetic Acid SCHEMBL9326366 0.82 REN (0.71) 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-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed