SCHEMBL1768660

SCHEMBL1768660

N=C(N)NCCCC(N)C(=O)NCC[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.49
OTC P00480 1/20 0.48
NOD1 Q9Y239 1/20 0.45
DDAH1 O94760 3/20 0.45
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
NOS2 P35228 4/20 0.43
NOS1 P29475 4/20 0.43
NOS3 P29474 3/20 0.43
RRM1 P23921 1/20 0.42
GSR P00390 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
NPY4R P50391 2/20 0.38
NPY1R P25929 1/20 0.38

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
SCHEMBL1768651 1.00 DPP7 (0.49) DPP7OTCNOD1DDAH1GNAI3
SCHEMBL1769706 1.00 DPP7 (0.49) DPP7OTCNOD1DDAH1GNAI3
SCHEMBL22401386 1.00 DPP7 (0.49) DPP7OTCNOD1DDAH1GNAI3
SCHEMBL6037849 0.94 DPP7 (0.53) DPP7OTCNOD1DDAH1GNAI3
SCHEMBL6037862 0.94 DPP7 (0.53) DPP7OTCNOD1DDAH1GNAI3
Arginine SCHEMBL7928810 0.90 OTC (0.56) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL6374054 0.90 OTC (0.56) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL1791 0.90 OTC (0.56) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL2411547 0.90 OTC (0.56) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL288132 0.90 OTC (0.56) OTCDDAH1NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed