SCHEMBL9052202

SCHEMBL9052202

CCCC(=O)c1ccc(N2C3CCC2CC(O)(Cc2ccccc2)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.50
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL9052425 0.80 HPGD (0.47) GRIN2BHPGDSMN1; SMN2L3MBTL1HTR1A
SCHEMBL9051391 0.77 DRD2 (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9052209 0.75 DRD2 (0.64) GRIN2BDRD2DRD4DRD3HTR1A
SCHEMBL9053117 0.73 DRD2 (0.77) GRIN2BDRD2DRD4DRD3HTR1A
SCHEMBL9052573 0.72 HPGD (0.46) HPGDSMN1; SMN2L3MBTL1HTR1A
SCHEMBL8986025 0.70 DRD2 (0.56) HPGDSMN1; SMN2L3MBTL1DRD2HTR1A
SCHEMBL9053033 0.70 OPRM1 (0.46) GRIN2BSMN1; SMN2L3MBTL1HTR2A
SCHEMBL9052143 0.70 OPRM1 (0.48) HPGDSMN1; SMN2L3MBTL1
SCHEMBL9050709 0.69
SCHEMBL8857317 0.68 GRIN2B (0.72) GRIN2B

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed