SCHEMBL5010657

SCHEMBL5010657

Cc1ccc(N2CCN(CCC(=O)O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
GLA P06280 1/20 0.61
NPSR1 Q6W5P4 1/20 0.59
HTR1A P08908 6/20 0.55
HTR7 P34969 2/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL19107617 0.91 MAPT (0.58) MAPTGLANPSR1HTR1AHTR7
SCHEMBL2114983 0.85 HTR1A (0.73) MAPTHTR1AHTR7DRD2
SCHEMBL5010735 0.84 KMT2A (0.58) MAPTHTR1AHTR7MEN1KMT2A
SCHEMBL5009446 0.84 HTR1A (0.72) MAPTNPSR1HTR1AHTR7KMT2A
SCHEMBL15650606 0.84 GFER (0.56) MAPTHTR1AHTR7MEN1KMT2A
SCHEMBL2114078 0.84 HTR1A (0.72) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL26373091 0.83 S1PR1 (0.61) MAPTGLANPSR1CA1CA2
Hydrochloric Acid SCHEMBL9811592 0.83 HTR1A (0.71) MAPTHTR1AHTR7DRD2
SCHEMBL12041659 0.83 HTR1A (0.51) MAPTHTR1AHTR7MEN1KMT2A
SCHEMBL5011458 0.83 KMT2A (0.75) HTR1ACA1CA2CA7CA9

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-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed