SCHEMBL27484223

SCHEMBL27484223

CN(CC(=O)O)C(=O)C(N)CCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.36
OTC P00480 1/20 0.35
NPY4R P50391 7/20 0.34
NPY1R P25929 5/20 0.34
NPY2R P49146 4/20 0.34
NPY5R Q15761 4/20 0.34
DDAH1 O94760 1/20 0.34
BHMT Q93088 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL27484222 1.00 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP9
SCHEMBL31369271 0.96 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP9
Arginine SCHEMBL7943591 0.86 NOS2 (0.58) NOS2NOS3NOS1OTCDDAH1
Arginine SCHEMBL1886681 0.86 NOS2 (0.58) NOS2NOS3NOS1OTCDDAH1
SCHEMBL9952947 0.83 NOS3 (0.41) NOS2NOS3NOS1DPP7OTC
SCHEMBL27382578 0.83 NOS3 (0.41) NOS2NOS3NOS1DPP7OTC
Hydrochloric Acid SCHEMBL8063762 0.82 NOS3 (0.41) NOS2NOS3NOS1DPP7OTC
Arginine SCHEMBL27682442 0.82 NOS2 (0.53) NOS2NOS3NOS1OTCDDAH1
SCHEMBL9614818 0.82 NOS3 (0.39) NOS2NOS3NOS1DPP4DPP9
SCHEMBL29774200 0.81 NOD1 (0.40) NOS2NOS3NOS1NPY4RNPY1R

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
CN-1171116-A N-substituted glycine derivatives as factor Xa inhibitors CORVAS INT INC (US) 1998-01-21 CN disclosed