SCHEMBL17813676

SCHEMBL17813676

NC(=O)NCCC[C@H](N)C(=O)CI

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.40
▸ OTC P00480 1/20 0.39
▸ ARG1 P05089 1/20 0.38
▸ DDAH1 O94760 2/20 0.37
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ RRM1 P23921 1/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ ANPEP P15144 2/20 0.32
▸ RNPEP Q9H4A4 2/20 0.32
▸ DNPEP Q9ULA0 1/20 0.32
▸ NOS1 P29475 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ GLA P06280 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31

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
SCHEMBL5872015 0.83 DPP7 (0.41) DPP7OTCARG1DDAH1GNAI3
SCHEMBL29737385 0.81 DPP7 (0.42) DPP7OTCARG1DDAH1GNAI3
SCHEMBL607463 0.80 DPP7 (0.44) DPP7OTCARG1DDAH1GNAI3
SCHEMBL3169670 0.80 DPP7 (0.44) DPP7OTCARG1DDAH1GNAI3
SCHEMBL18866881 0.80 DPP7 (0.44) DPP7OTCARG1DDAH1GNAI3
SCHEMBL5872019 0.80 GNAI3 (0.44) DPP7OTCARG1DDAH1GNAI3
SCHEMBL16602446 0.79 DPP7 (0.33) DPP7OTCCHRM2CHRM4CHRM1
L-Citrulline SCHEMBL215403 0.79 OTC (0.59) OTCARG1DDAH1NOS1CYP1A2
L-Citrulline SCHEMBL15909605 0.79 OTC (0.59) OTCARG1DDAH1NOS1CYP1A2
L-Citrulline SCHEMBL9070200 0.79 OTC (0.59) OTCARG1DDAH1NOS1CYP1A2

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
WO-2016090050-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
Send feedback