SCHEMBL13689403

SCHEMBL13689403

CC(CN)N[C@@H](CCCN)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.49
▸ HTR2A P28223 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ TLR2 O60603 5/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ CXCR3 P49682 2/20 0.39

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
SCHEMBL8360611 0.84 CPB2 (0.53) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL13691765 0.81 NPC1 (0.44) CPB2
SCHEMBL13691791 0.79 ACR (0.56) CPB2
SCHEMBL18742006 0.78 CPB2 (0.60) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL18725756 0.78 CPB2 (0.60) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL18725757 0.78 CPB2 (0.60) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL18768768 0.73 MMP2 (0.69) CPB2HTR2AHRH1MMP2CXCR3
SCHEMBL18755213 0.73 MMP2 (0.69) CPB2HTR2AHRH1MMP2CXCR3
SCHEMBL18755192 0.73 CXCR3 (0.61) CPB2CXCR3
SCHEMBL7850312 0.72 MMP2 (0.60) CPB2MMP2

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-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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