SCHEMBL1600387

SCHEMBL1600387

COc1cc(N2CCC(C(=O)O)(c3ccccc3)CC2)c(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RBP4 P02753 1/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1B P35368 4/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KMT2A Q03164 3/20 0.37
TET3 O43151 2/20 0.37
FBXL19 Q6PCT2 2/20 0.37
CXXC5 Q7LFL8 2/20 0.37
TET1 Q8NFU7 2/20 0.37
KDM2B Q8NHM5 2/20 0.37
CXXC4 Q9H2H0 2/20 0.37
KDM2A Q9Y2K7 2/20 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
SCHEMBL4874783 0.76 DRD2 (0.53) ADRA1AADRA1DADRA1BADRB1KMT2A
SCHEMBL4873768 0.70 SOAT1 (0.55) ADRA1AADRA1DADRA1BKMT2AHTR1A
SCHEMBL22949523 0.69 HPGD (0.47)
SCHEMBL4880864 0.68 DRD2 (0.52) ADRA1AADRA1DADRA1BKMT2AHTR1A
SCHEMBL1600115 0.67 KMT2A (0.47) KMT2A
SCHEMBL4878235 0.67 SOAT1 (0.52) ADRA1AADRA1DADRA1BKMT2AHTR1A
SCHEMBL4881137 0.65 CA12 (0.49) ADRA1AADRA1DADRA1BKMT2AHTR1A
SCHEMBL16979517 0.65 OPRM1 (0.62) CHRM1ADRA1AKMT2ATET3FBXL19
SCHEMBL972474 0.65 TSHR (0.65) HSD17B10KMT2ATET3FBXL19CXXC5
SCHEMBL5476169 0.65 SOAT1 (0.55) ADRA1AADRA1DADRA1BKMT2AHTR1A

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-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed