SCHEMBL9052209

SCHEMBL9052209

O=C(CCCN1C2CCC1CC(O)(Cc1ccccc1)C2)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.64
DRD4 P21917 5/20 0.64
HTR1A P08908 3/20 0.64
HTR2A P28223 3/20 0.64
HRH1 P35367 3/20 0.64
GRIN2B Q13224 5/20 0.53
HTR2C P28335 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
SLC18A3 Q16572 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL9053117 0.92 DRD2 (0.77) DRD2DRD4HTR1AHTR2AHRH1
SCHEMBL9051399 0.80 DRD2 (0.80) DRD2DRD4HTR1AHTR2AHRH1
SCHEMBL9052433 0.76 DRD2 (0.68) DRD2HTR1AHTR2AHRH1GRIN2B
SCHEMBL9052202 0.75 GRIN2B (0.50) DRD2DRD4HTR1AHTR2AHRH1
SCHEMBL11615002 0.70 L3MBTL1 (0.50) DRD2DRD4HTR1AHTR2AHRH1
SCHEMBL11615000 0.70 L3MBTL1 (0.50) DRD2DRD4HTR1AHTR2AHRH1
SCHEMBL9050578 0.69 DRD2 (1.00) DRD2DRD4HTR1AHTR2AHRH1
SCHEMBL16600883 0.69 GRIN2B (1.00) GRIN2B
SCHEMBL16600881 0.69 GRIN2B (1.00) GRIN2B
SCHEMBL9052603 0.69 DRD2 (0.71) DRD2DRD4HTR1AHTR2AHRH1

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