SCHEMBL7301592

SCHEMBL7301592

NCC(O)C(O)C(N)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.49
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL7272185 1.00 REN (0.49) RENTP53KDM4EGMNNLMNA
Acetic Acid SCHEMBL7300070 0.90 REN (0.49) RENMETAP2METAP1
SCHEMBL12507498 0.86 REN (0.49) RENMETAP2METAP1
SCHEMBL7272557 0.85 REN (0.49) RENLMNAMETAP2METAP1
SCHEMBL8910518 0.85 REN (0.49) RENLMNAMETAP2METAP1
Hydrochloric Acid SCHEMBL9848324 0.84 REN (0.47) RENTP53KDM4EGMNNLMNA
SCHEMBL7277378 0.84 REN (0.47) RENTP53METAP2METAP1
SCHEMBL10591623 0.83 REN (0.46) RENTP53KDM4EGMNNLMNA
SCHEMBL7274162 0.83 REN (0.55) RENMETAP2METAP1
SCHEMBL7265219 0.83 REN (0.48) 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
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed