SCHEMBL9872464

SCHEMBL9872464

O=C1CCC(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.59
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
GAA P10253 1/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.54
HTR7 P34969 1/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 5/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
THRB P10828 1/20 0.50
HIF1A Q16665 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL14161697 0.85 GRIN2B (0.76) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL7473599 0.83 POLB (0.53) GRIN2BALDH1A1MAPTHTR7CYP2C9
SCHEMBL13648726 0.82 L3MBTL3 (0.72) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL13648728 0.82 L3MBTL3 (0.72) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL8584491 0.80 L3MBTL3 (0.70) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL22848095 0.80 L3MBTL3 (0.70) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL22848097 0.80 L3MBTL3 (0.70) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
Hydrochloric Acid SCHEMBL8814411 0.79 L3MBTL3 (0.68) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL12662876 0.79 L3MBTL3 (0.73) GRIN2BL3MBTL1MBTD1L3MBTL3GAA
SCHEMBL14768684 0.78 KDM4E (0.51) GRIN2BALDH1A1KDM4ECYP2C9CYP2C19

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-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed