SCHEMBL11228631

SCHEMBL11228631

CCN1CCC=C(c2cccc3[nH]ccc23)C1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRB1 P08588 1/20 0.43
HTR6 P50406 1/20 0.43
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
Phosphoric Acid SCHEMBL11224415 0.93 KDM4E (0.40) KDM4ELMNAALOX15ADRB1HTR6
SCHEMBL11233776 0.90 ADRB1 (0.41) ADRB1HTR6
SCHEMBL11220044 0.84 DRD2 (0.57) ADRB1HTR6GAADRD2DRD4
SCHEMBL11233825 0.84 CREBBP (0.43) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL11229113 0.84 ADRB1 (0.40) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL11228410 0.83 HTR2A (0.54) ADRB1HTR6
SCHEMBL11231626 0.82 DRD2 (0.46) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL10674565 0.79 KDM4E (0.70) KDM4ELMNAALOX15HTR6DRD2
Oxalic Acid SCHEMBL11227420 0.79 MAPK14 (0.53) GAADRD2DRD4DRD3
Phosphoric Acid SCHEMBL11228105 0.78 CREBBP (0.44) ADRB1HTR6

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