SCHEMBL7436333

SCHEMBL7436333

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.46
METAP2 P50579 3/20 0.44
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRM1 Q13255 1/20 0.38
BCHE P06276 1/20 0.38
METAP1 P53582 1/20 0.38

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
SCHEMBL7423570 0.82 REN (0.47) RENMETAP2PSEN1PSEN2APH1B
SCHEMBL7436327 0.81 REN (0.42) RENMETAP2PSEN1PSEN2APH1B
SCHEMBL7441472 0.78 CHRNB2 (0.43) RENMETAP2PSEN1PSEN2APH1B
SCHEMBL7440606 0.76 REN (0.44) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7429691 0.76 REN (0.42) RENMETAP2PSEN1PSEN2APH1B
SCHEMBL7312408 0.75 REN (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7321106 0.75 REN (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7344132 0.75 REN (0.65) REN
SCHEMBL7281051 0.74 REN (0.67) REN
SCHEMBL7271210 0.74 REN (0.67) REN

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-0296581-A2 Amino acid 1,2-diketo derivatives as renin inhibitors E.R. SQUIBB & SONS, INC. (US) 1988-12-28 EP disclosed