SCHEMBL1865040

SCHEMBL1865040

Cc1c(O)cccc1N1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
ADRA2C P18825 1/20 0.50
ALDH1A1 P00352 3/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 2/20 0.46
DRD1 P21728 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
EGFR P00533 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ADRB1 P08588 1/20 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
SCHEMBL2940793 0.85 MEN1 (0.49) ALDH1A1LMNAKMT2AMAPTMAPK1
SCHEMBL27664430 0.83 MEN1 (0.51) ALDH1A1LMNAKMT2AMAPTMAPK1
SCHEMBL1308333 0.82 ADRA2C (0.60) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL13243993 0.81 ADRB1 (0.65) DRD2DRD3ADRA2CALDH1A1LMNA
SCHEMBL24309229 0.80 DRD2 (0.69) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL3626941 0.80 ADRB1 (0.69) DRD2DRD3ALDH1A1HTR2AHTR1A
SCHEMBL24309751 0.80 DRD2 (0.50) DRD2DRD3ADRA2CALDH1A1DRD4
SCHEMBL11094567 0.80 HSD17B10 (0.46) ALDH1A1LMNAKMT2AMAPTADRB1
SCHEMBL12359055 0.78 DRD2 (0.71) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL3595699 0.78 ADRA2C (0.55) DRD2DRD3ADRA2CALDH1A1DRD4

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
WO-2011006803-A9 3-0X0-2, 3, -DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 WO disclosed