SCHEMBL7283383

SCHEMBL7283383

N[C@@H](CCC1CCCCC1)[C@@H](O)[C@@H](O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
METAP2 P50579 2/20 0.39
REN P00797 2/20 0.36
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10582459 0.75 METAP1 (0.50) METAP1METAP2SIGMAR1CYP1A2
SCHEMBL7334866 0.75 METAP1 (0.50) METAP1METAP2SIGMAR1CYP1A2
SCHEMBL13724320 0.75 METAP1 (0.58) METAP1METAP2SIGMAR1CYP1A2
SCHEMBL7266597 0.74 METAP2 (0.41) METAP1METAP2REN
SCHEMBL7266321 0.74 METAP2 (0.44) METAP1METAP2RENCYP1A2
SCHEMBL7266293 0.74 METAP2 (0.44) METAP1METAP2RENCYP1A2
SCHEMBL7264762 0.74 METAP2 (0.41) METAP1METAP2REN
SCHEMBL7283388 0.72 TP53 (0.36)
SCHEMBL9504627 0.72 METAP1 (0.42) METAP1METAP2SIGMAR1CYP1A2
SCHEMBL7852214 0.72 METAP2 (0.50) METAP1METAP2RENSIGMAR1CYP1A2

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
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 EP disclosed