SCHEMBL7433418

SCHEMBL7433418

CC(C)[C@@H](CCn1c(=O)n(Cc2ccccc2)c2ccccc21)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.39
METAP1 P53582 4/20 0.39
USP19 O94966 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
REN P00797 2/20 0.35
DPP4 P27487 2/20 0.35
C5AR1 P21730 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
UBE2N P61088 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL7433334 0.75 METAP2 (0.42) METAP2METAP1PSEN1PSEN2APH1B
SCHEMBL7432793 0.72 METAP2 (0.48) METAP2METAP1PSEN1PSEN2APH1B
SCHEMBL7436027 0.72 REN (0.52) METAP2METAP1REN
SCHEMBL7433023 0.69 REN (0.47) METAP2METAP1RENKMT2A
SCHEMBL9260290 0.68 REN (0.50) METAP2METAP1RENKMT2A
SCHEMBL21931658 0.67 METAP2 (0.52) METAP2METAP1RENATMMEN1
SCHEMBL7429913 0.66 REN (0.47) METAP2METAP1RENKMT2A
SCHEMBL7272398 0.66 METAP2 (0.51) METAP2METAP1RENMEN1KMT2A
SCHEMBL7497309 0.65 MMP3 (0.50) METAP2METAP1RENMEN1KMT2A
Hydrochloric Acid SCHEMBL7435572 0.64 MMP3 (0.49) METAP2METAP1RENMEN1KMT2A

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