SCHEMBL11220044

SCHEMBL11220044

C1=C(c2cccc3[nH]ccc23)CN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
MAPK14 Q16539 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTT P42858 1/20 0.48
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
GAA P10253 3/20 0.46
ACHE P22303 3/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR6 P50406 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
Oxalic Acid SCHEMBL11227420 0.94 MAPK14 (0.53) DRD2DRD4DRD3MAPK14HTR1A
SCHEMBL11231626 0.88 DRD2 (0.46) DRD2DRD4DRD3MAPK14HTR1A
SCHEMBL31530785 0.85 HTR1A (0.66) DRD2HTR1AHTR2AHTTACHE
SCHEMBL2783395 0.85 HTR1A (0.66) DRD2HTR1AHTR2AHTTACHE
SCHEMBL11228631 0.84 KDM4E (0.44) DRD2DRD4DRD3GAAADRB1
SCHEMBL11233776 0.81 ADRB1 (0.41) HTR2AADRB1HTR6
SCHEMBL11233825 0.81 CREBBP (0.43) DRD2DRD4DRD3HTR1APIK3CA
SCHEMBL11229113 0.81 ADRB1 (0.40) DRD2DRD4DRD3HTR1APIK3CA
Phosphoric Acid SCHEMBL11224415 0.78 KDM4E (0.40) ADRB1HTR6
SCHEMBL11228410 0.78 HTR2A (0.54) HTR2AADRB1HTR6

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-4332808-A Dopaminergically stimulating 4-substituted indoles ROUSSEL UCLAF (FR) 1982-06-01 US disclosed