SCHEMBL5516163

SCHEMBL5516163

COc1cc(N2CCN(C(C)c3ccc(OC)c(OC)c3)C(C)C2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.45
CCR1 P32246 4/20 0.41
OGA O60502 2/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PTGDR Q13258 1/20 0.38
DPP4 P27487 4/20 0.38
CHEK1 O14757 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37

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
SCHEMBL5528350 1.00 HIF1A (0.45) HIF1ACCR1OGACTSBCTSS
SCHEMBL14453016 1.00 HIF1A (0.45) HIF1ACCR1OGACTSBCTSS
SCHEMBL5516800 1.00 HIF1A (0.45) HIF1ACCR1OGACTSBCTSS
SCHEMBL4710665 0.83 POLB (0.45) HIF1ACCR1PTGDRDPP4
SCHEMBL4709141 0.83 POLB (0.45) HIF1ACCR1PTGDRDPP4
SCHEMBL4710679 0.83 POLB (0.45) HIF1ACCR1PTGDRDPP4
SCHEMBL4709090 0.82 OGA (0.53) HIF1ACCR1OGASUV39H2
SCHEMBL4709091 0.82 OGA (0.53) HIF1ACCR1OGASUV39H2
SCHEMBL4710264 0.82 OGA (0.53) HIF1ACCR1OGASUV39H2
SCHEMBL14453004 0.81 OGA (0.38) HIF1AOGACTSBCTSSCTSK

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
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed