SCHEMBL7277980

SCHEMBL7277980

N=C(NCCCCC(=O)O)N[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.48
ADRA1A P35348 1/20 0.46
PLA2G2A P14555 1/20 0.42
MAPK1 P28482 1/20 0.41
PLA2G4A P47712 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
EPHX2 P34913 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL27656610 0.86 NOS1 (0.35) PRMT1ADRA1ALMNAITGB3ITGA2B
SCHEMBL4429695 0.76 PRMT1 (0.57) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL4092950 0.74 ADRA1A (0.57) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL11708030 0.74 PRMT1 (0.55) PRMT1ADRA1APLA2G2AMAPK1LMNA
SCHEMBL4094844 0.73 ADRA1A (0.60) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL28793865 0.72 ALDH1A1 (0.33)
SCHEMBL2161228 0.72 ALDH1A1 (0.37) MAPK1LMNAEPHX1
SCHEMBL25859824 0.72 ALDH1A1 (0.33)
SCHEMBL607060 0.71 NOS1 (0.46) LMNA
Hydrochloric Acid SCHEMBL7295055 0.71 NOS1 (0.35) LMNAPMP22CYP2C9CYP2C19

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-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed