SCHEMBL9845041

SCHEMBL9845041

CN=C(NN)NCCC[C@@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.49
▸ DDAH1 O94760 4/20 0.46
▸ NOS2 P35228 6/20 0.42
▸ NOS1 P29475 6/20 0.42
▸ NOS3 P29474 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GSR P00390 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ THPO P40225 1/20 0.40

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
SCHEMBL9845038 1.00 OTC (0.49) OTCDDAH1NOS2NOS1NOS3
SCHEMBL9845036 1.00 OTC (0.49) OTCDDAH1NOS2NOS1NOS3
SCHEMBL287988 0.87 KDM1A (0.51) OTCDDAH1NOS2NOS1NOS3
SCHEMBL18071127 0.87 KDM1A (0.51) OTCDDAH1NOS2NOS1NOS3
SCHEMBL21195165 0.87 KDM1A (0.51) OTCDDAH1NOS2NOS1NOS3
SCHEMBL14842600 0.87 KDM1A (0.51) OTCDDAH1NOS2NOS1NOS3
SCHEMBL4407451 0.87 KDM1A (0.51) OTCDDAH1NOS2NOS1NOS3
SCHEMBL13485480 0.87 KDM1A (0.51) OTCDDAH1NOS2NOS1NOS3
SCHEMBL15199766 0.86 OTC (0.48) OTCDDAH1NOS2NOS1NOS3
SCHEMBL26261505 0.83 MAPT (0.42) OTCDDAH1MEN1KMT2A

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
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