SCHEMBL9724094

SCHEMBL9724094

O=C(N[C@@H](CC1CCCCC1)[C@@H](O)CC(F)Cc1ccccn1)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
CTSE P14091 1/20 0.49

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
SCHEMBL7287419 0.89 REN (0.60) REN
SCHEMBL9724084 0.89 REN (0.55) RENCTSE
SCHEMBL7268886 0.89 REN (0.69) REN
SCHEMBL7275460 0.86 REN (0.60) REN
SCHEMBL7275457 0.86 REN (0.60) REN
SCHEMBL9800529 0.85 REN (0.58) REN
SCHEMBL8909418 0.85 REN (0.58) REN
SCHEMBL7368256 0.84 REN (0.55) REN
SCHEMBL7295892 0.84 REN (0.53) REN
SCHEMBL7332910 0.83 REN (0.62) 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-5116835-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed