SCHEMBL18742006

SCHEMBL18742006

NCCCC[C@H](NC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 2/20 0.60
▸ MMP2 P08253 2/20 0.51
▸ TLR2 O60603 5/20 0.46
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ CXCR3 P49682 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CPB1 P15086 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL18725757 1.00 CPB2 (0.60) CPB2MMP2TLR2GRIN1GRIN2A
SCHEMBL18725756 1.00 CPB2 (0.60) CPB2MMP2TLR2GRIN1GRIN2A
SCHEMBL18725740 0.86 CXCR3 (0.49) CPB2CXCR3
SCHEMBL18725733 0.86 CXCR3 (0.49) CPB2CXCR3
SCHEMBL18755192 0.83 CXCR3 (0.61) CPB2CXCR3
SCHEMBL8360611 0.82 CPB2 (0.53) CPB2MMP2TLR2CXCR3HTR2A
SCHEMBL16288707 0.82 TLR2 (0.58) CPB2MMP2TLR2GRIN1GRIN2A
SCHEMBL18755213 0.82 MMP2 (0.69) CPB2MMP2CXCR3HTR2AHRH1
SCHEMBL18768768 0.82 MMP2 (0.69) CPB2MMP2CXCR3HTR2AHRH1
SCHEMBL13689403 0.78 CPB2 (0.49) CPB2MMP2TLR2CXCR3HTR2A

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-2017063910-A1 AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2017-04-20 — — WO disclosed
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