SCHEMBL11229113

SCHEMBL11229113

C=CCN1CCC=C(c2cccc3[nH]ccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
HTR6 P50406 1/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL11228631 0.84 KDM4E (0.44) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL11233776 0.81 ADRB1 (0.41) ADRB1HTR6
SCHEMBL10677773 0.81 HTR1A (0.53) HTR6ADRA1DADRA1AADRA1BDRD2
SCHEMBL11220044 0.81 DRD2 (0.57) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL11233825 0.81 CREBBP (0.43) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL11231626 0.79 DRD2 (0.46) ADRB1HTR6DRD2DRD4DRD3
Phosphoric Acid SCHEMBL11224415 0.78 KDM4E (0.40) ADRB1HTR6
SCHEMBL11228410 0.78 HTR2A (0.54) ADRB1HTR6PIK3CD
Oxalic Acid SCHEMBL11227420 0.76 MAPK14 (0.53) DRD2DRD4DRD3HTR1APIK3CA
Phosphoric Acid SCHEMBL11228105 0.75 CREBBP (0.44) ADRB1HTR6ADRA1A

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