SCHEMBL16790280

SCHEMBL16790280

Nc1cc(Cl)nc(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
CXCR4 P61073 18/20 0.44
CXCL12 P48061 1/20 0.40
VCP P55072 1/20 0.36

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
SCHEMBL16790180 1.00 HRH4 (0.44) HRH4CXCR4CXCL12VCP
SCHEMBL9885050 0.94 HRH4 (0.46) HRH4CXCR4CXCL12VCP
SCHEMBL13683502 0.94 HRH4 (0.46) HRH4CXCR4CXCL12VCP
SCHEMBL9884966 0.86 CXCR4 (0.45) HRH4CXCR4CXCL12
SCHEMBL9885031 0.84 OPRL1 (0.41) HRH4CXCR4CXCL12
SCHEMBL9884629 0.83 CXCR4 (0.61) CXCR4CXCL12
SCHEMBL14693243 0.81 HRH4 (0.53) HRH4CXCR4
SCHEMBL16790181 0.81 HRH4 (0.53) HRH4CXCR4
SCHEMBL13667233 0.81 HRH4 (0.53) HRH4CXCR4
SCHEMBL13667194 0.81 HRH4 (0.53) HRH4CXCR4

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
EP-2268635-B1 HETEROCYCLIC COMPOUNDS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2015-06-10 EP disclosed