SCHEMBL7269758

SCHEMBL7269758

C=C[C@@H](CC)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.47
METAP2 P50579 7/20 0.39
METAP1 P53582 4/20 0.34
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL7269766 1.00 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7268680 1.00 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7273715 0.80 REN (0.52) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7326084 0.80 REN (0.52) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7328910 0.80 REN (0.52) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9554531 0.79 REN (0.47) RENMETAP2METAP1
SCHEMBL9554528 0.79 REN (0.47) RENMETAP2METAP1
SCHEMBL7292635 0.79 REN (0.47) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7324277 0.78 REN (0.51) RENMETAP2METAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9554876 0.78 REN (0.46) RENMETAP2METAP1

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-0391180-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed