SCHEMBL7597963

SCHEMBL7597963

N=C(NCCC[C@H](N)C(=O)O)NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.47
DDAH1 O94760 2/20 0.41
GSR P00390 1/20 0.40
NOS2 P35228 6/20 0.39
NOS3 P29474 4/20 0.39
NOS1 P29475 4/20 0.39
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP1 P53582 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
BLM P54132 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
SCHEMBL9845064 1.00 OTC (0.47) OTCDDAH1GSRNOS2NOS3
SCHEMBL1342779 0.91 ACE (0.38) OTCGSRNOS2NOS3NOS1
SCHEMBL9845059 0.84 SMN1; SMN2 (0.39) METAP1BLM
SCHEMBL1345188 0.84 SMN1; SMN2 (0.43) CYP2C19CYP1A2CYP3A4
SCHEMBL448333 0.79 OTC (0.53) OTCDDAH1GSRNOS2NOS3
SCHEMBL18532015 0.79 OTC (0.53) OTCDDAH1GSRNOS2NOS3
SCHEMBL9845015 0.78 OTC (0.49) OTCDDAH1GSRNOS2NOS3
SCHEMBL9845012 0.78 OTC (0.49) OTCDDAH1GSRNOS2NOS3
SCHEMBL13059111 0.78 OTC (0.51) OTCDDAH1GSRNOS2NOS3
Tilarginine SCHEMBL12028766 0.78 OTC (0.51) OTCDDAH1GSRNOS2NOS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156129-A1 Method of treating pruritus and a pharmaceutical composition for the method IKEDA MOHANDO CO., LTD. (JP) 2002-10-24 US claimed
US-20020156129-A1 Method of treating pruritus and a pharmaceutical composition for the method IKEDA MOHANDO CO., LTD. (JP) 2002-10-24 US disclosed
EP-0446699-A1 Inhibitors of nitric oxide biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1991-09-18 EP disclosed