SCHEMBL7433334

SCHEMBL7433334

CC(C)[C@@H](CCOCc1ccccc1)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.42
METAP1 P53582 7/20 0.42
REN P00797 5/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CYP2C19 P33261 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7432793 0.85 METAP2 (0.48) METAP2METAP1RENPSEN1PSEN2
SCHEMBL7436027 0.76 REN (0.52) METAP2METAP1REN
SCHEMBL7433023 0.75 REN (0.47) METAP2METAP1RENKMT2A
SCHEMBL7433418 0.75 METAP2 (0.39) METAP2METAP1RENPSEN1PSEN2
SCHEMBL9727591 0.73 REN (0.47) METAP2METAP1RENKMT2A
SCHEMBL9727598 0.73 REN (0.47) METAP2METAP1RENKMT2A
SCHEMBL9260290 0.73 REN (0.50) METAP2METAP1RENKMT2A
SCHEMBL9728015 0.73 REN (0.44) METAP2METAP1REN
SCHEMBL9728012 0.73 REN (0.44) METAP2METAP1REN
SCHEMBL21931658 0.72 METAP2 (0.52) METAP2METAP1RENATMKMT2A

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-5140011-A Hypotensive agents HOFFMANN-LA ROCHE, INC. (US) 1992-08-18 US disclosed
EP-0391179-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed