SCHEMBL5872019

SCHEMBL5872019

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.44
▸ GNAO1 P09471 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ DPP7 Q9UHL4 2/20 0.44
▸ RRM1 P23921 1/20 0.42
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ NOS1 P29475 1/20 0.39
▸ OTC P00480 1/20 0.38
▸ GSR P00390 1/20 0.37
▸ ARG1 P05089 1/20 0.37
▸ DDAH1 O94760 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ C3AR1 Q16581 1/20 0.35

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 0.81 DPP7 (0.41) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL17813676 0.80 DPP7 (0.40) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL607463 0.79 DPP7 (0.44) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL3169670 0.79 DPP7 (0.44) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL18866881 0.79 DPP7 (0.44) GNAI3GNAO1GNAI1DPP7RRM1
L-Citrulline SCHEMBL7526760 0.79 GSR (0.60) GNAI3GNAO1GNAI1NOS1OTC
L-Citrulline SCHEMBL7526767 0.79 GSR (0.60) GNAI3GNAO1GNAI1NOS1OTC
L-Citrulline SCHEMBL9107741 0.77 GSR (0.69) GNAI3GNAO1GNAI1NOS1OTC
L-Citrulline SCHEMBL9107735 0.77 GSR (0.69) GNAI3GNAO1GNAI1NOS1OTC
SCHEMBL13444714 0.77 DPP7 (0.53) GNAI3GNAO1GNAI1DPP7RRM1

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
US-7001984-B2 Di-, tri-, and tetra-peptides having antiangiogenic activity ABBOTT LABORATORIES (US) 2006-02-21 — — US disclosed
US-20050215484-A1 Di-, tri-, and tetra-peptides having antiangiogenic activity HAVIV FORTUNA 2005-09-29 — — US disclosed
Send feedback