SCHEMBL9338666

SCHEMBL9338666

NC(CCCNNC(=O)NC1CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.40
GSR P00390 1/20 0.40
NOS2 P35228 5/20 0.37
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP1 P53582 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BLM P54132 2/20 0.37
LMNA P02545 1/20 0.37
ARG2 P78540 4/20 0.37
ARG1 P05089 3/20 0.37
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 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
SCHEMBL9338676 1.00 OTC (0.40) OTCGSRNOS2NOS3NOS1
SCHEMBL8619137 0.91 L3MBTL1 (0.39) GSRKMT2AL3MBTL1BLMLMNA
Valeric Acid SCHEMBL9334545 0.89 METAP1 (0.41) GSRMETAP1BLMLMNACYP1A2
Valeric Acid SCHEMBL9336479 0.89 METAP1 (0.41) GSRMETAP1BLMLMNACYP1A2
SCHEMBL8618018 0.81 L3MBTL1 (0.36) GSRNOS2NOS3NOS1KMT2A
SCHEMBL13585340 0.78 EPHX2 (0.45) TSHR
SCHEMBL13585343 0.78 EPHX2 (0.45) TSHR
SCHEMBL2235591 0.77 METAP1 (0.50) OTCGSRNOS2NOS3NOS1
SCHEMBL2235588 0.77 METAP1 (0.50) OTCGSRNOS2NOS3NOS1
SCHEMBL7597963 0.76 OTC (0.47) OTCGSRNOS2NOS3NOS1

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
US-5318992-A Administering for the treatment of hypotensive conditions and shock MERRELL DOW PHARMACEUTICALS INC. (US) 1994-06-07 US disclosed