SCHEMBL9845015

SCHEMBL9845015

N=C(NCCC[C@@H](N)C(=O)O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.49
DDAH1 O94760 4/20 0.43
GSR P00390 1/20 0.42
NOS2 P35228 3/20 0.41
NOS1 P29475 3/20 0.41
NOS3 P29474 2/20 0.41
ARG2 P78540 4/20 0.39
ARG1 P05089 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOD1 Q9Y239 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
SCHEMBL9845012 1.00 OTC (0.49) OTCDDAH1GSRNOS2NOS1
Hydrochloric Acid SCHEMBL8472038 0.98 OTC (0.48) OTCDDAH1GSRNOS2NOS1
Hydrochloric Acid SCHEMBL8472273 0.94 GSR (0.43) OTCDDAH1GSRNOS2NOS1
SCHEMBL2238409 0.83 OTC (0.51) OTCDDAH1GSRNOS2ARG2
SCHEMBL2238416 0.83 OTC (0.51) OTCDDAH1GSRNOS2ARG2
Arginine SCHEMBL28224381 0.83 OTC (0.46) OTCDDAH1GSRNOS2NOS1
SCHEMBL16615729 0.79 GSR (0.47) OTCDDAH1GSRARG2ARG1
SCHEMBL7597963 0.78 OTC (0.47) OTCDDAH1GSRNOS2NOS1
SCHEMBL9845064 0.78 OTC (0.47) OTCDDAH1GSRNOS2NOS1
Arginine SCHEMBL6374054 0.78 OTC (0.56) OTCDDAH1GSRNOS2NOS1

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-0446699-A1 Inhibitors of nitric oxide biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1991-09-18 EP disclosed