SCHEMBL14504657

SCHEMBL14504657

N[C@@H]1C[C@@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cc(Cl)ccc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 8/20 0.55
KCNMA1 Q12791 3/20 0.48
TMPRSS4 Q9NRS4 8/20 0.47
SCN9A Q15858 1/20 0.47
P2RX4 Q99571 4/20 0.46
P2RX7 Q99572 4/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL5400638 1.00 P2RX1 (0.55) P2RX1KCNMA1TMPRSS4SCN9AP2RX4
SCHEMBL5382253 0.92 KLKB1 (0.48) P2RX1KCNMA1TMPRSS4SCN9AP2RX4
SCHEMBL5382620 0.91 SCN9A (0.47) P2RX1KCNMA1TMPRSS4SCN9AP2RX4
SCHEMBL5381063 0.89 KLKB1 (0.44) P2RX1SCN9ACA12CA1CA2
SCHEMBL5396786 0.88 P2RX1 (0.43) P2RX1TMPRSS4SCN9ACA12CA1
SCHEMBL5376176 0.88 PLAU (0.47) P2RX1TMPRSS4SCN9ACA12CA1
SCHEMBL5396728 0.88 PLAU (0.47) P2RX1TMPRSS4SCN9ACA12CA1
SCHEMBL5382834 0.87 SCN9A (0.41) P2RX1SCN9ACA12CA1CA2
SCHEMBL5390622 0.86 LMNA (0.46) CA12CA1CA2CA9
SCHEMBL5376114 0.86 PLAU (0.50) P2RX1TMPRSS4SCN9A

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed