SCHEMBL4600117

SCHEMBL4600117

NCC(=O)N1CCN(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.41
SIGMAR1 Q99720 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
ACE P12821 1/20 0.35
TACR1 P25103 2/20 0.34

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
SCHEMBL6653686 0.81 AGTR2 (0.47) AGTR2CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL919018 0.81 AGTR2 (0.47) AGTR2CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL8402776 0.81 AGTR2 (0.47) AGTR2CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL16323077 0.72 AGTR2 (0.36) AGTR2CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL23410806 0.71 SIGMAR1 (0.46) SIGMAR1DPP4PREPFAPDPP8
SCHEMBL7254080 0.71 AGTR2 (0.35) AGTR2
SCHEMBL1860296 0.70 ALDH1A1 (0.48) SIGMAR1DPP4PREPFAPDPP8
SCHEMBL22814152 0.70
SCHEMBL26089875 0.69 ATM (0.47) AGTR2TACR1
SCHEMBL5010169 0.69 SMN1; SMN2 (0.37) DPP4PREPFAPDPP8DPP9

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-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed