SCHEMBL9554528

SCHEMBL9554528

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.47
METAP2 P50579 6/20 0.36
METAP1 P53582 4/20 0.34

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
SCHEMBL9554531 1.00 REN (0.47) RENMETAP2METAP1
SCHEMBL7292635 1.00 REN (0.47) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9554869 0.99 REN (0.46) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9554876 0.99 REN (0.46) RENMETAP2METAP1
SCHEMBL7368680 0.85 REN (0.50) RENMETAP2METAP1
SCHEMBL7327540 0.81 REN (0.53) RENMETAP2METAP1
SCHEMBL7301121 0.80 REN (0.50) RENMETAP2METAP1
SCHEMBL7269758 0.79 REN (0.47) RENMETAP2METAP1
SCHEMBL7269766 0.79 REN (0.47) RENMETAP2METAP1
SCHEMBL7268680 0.79 REN (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed