SCHEMBL11326554

SCHEMBL11326554

c1ccc(N2CC2)c(N2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
ADRA2C P18825 1/20 0.52
GAA P10253 2/20 0.50
KEAP1 Q14145 1/20 0.50
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ADRB1 P08588 2/20 0.48
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PLA2G1B P04054 1/20 0.45
RAB9A P51151 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43

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
SCHEMBL4427099 1.00 MAPK1 (0.54) MAPK1ADRA2CGAAKEAP1DRD2
SCHEMBL4423797 0.91 MAPK1 (0.60) MAPK1ADRA2CGAAKEAP1DRD2
SCHEMBL26219177 0.87 MAPK1 (0.70) MAPK1ADRA2CGAAKEAP1ADRB1
SCHEMBL27934132 0.84 MAPK1 (0.74) MAPK1GAAKEAP1ALDH1A1KDM4E
SCHEMBL28396664 0.82 ADRB1 (0.71) DRD2DRD3ADRB1HTTALDH1A1
SCHEMBL23152040 0.80 ADRA2C (0.79) MAPK1ADRA2CGAAKEAP1DRD2
SCHEMBL11120307 0.80 GAA (0.70) MAPK1GAAHTTALDH1A1RAB9A
SCHEMBL15834279 0.80 ADRB1 (0.75) DRD2DRD3ADRB1ALDH1A1KDM4E
SCHEMBL11775877 0.80 ADRA2C (0.79) MAPK1ADRA2CGAAKEAP1DRD2
SCHEMBL9424119 0.80 LMNA (0.62) GAAHTTALDH1A1KDM4ERAB9A

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-4270021-A High voltage cable splice using condensation reaction polymeric insulation GOLD MARVIN H 1981-05-26 US disclosed
US-4222801-A CHAIN EXTENSION, GRAFT POLYMERIZATION GOLD MARVIN H 1980-09-16 US disclosed