SCHEMBL11058896

SCHEMBL11058896

CCCNC1CC=C2CC(OC)=CC=C2C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
DRD4 P21917 2/20 0.35

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
SCHEMBL6904580 0.70 DRD2 (0.37) DRD2DRD3DRD4
SCHEMBL6910114 0.61 DRD2 (0.42) DRD2DRD3DRD4
SCHEMBL8688541 0.60 DRD2 (0.56) DRD2DRD3DRD4
SCHEMBL9496955 0.60 DRD2 (0.58) DRD2DRD3DRD4
SCHEMBL6138233 0.58
SCHEMBL6911971 0.58 DRD3 (0.42) DRD2DRD3DRD4
SCHEMBL6908624 0.57
SCHEMBL8416141 0.57
SCHEMBL8689197 0.56 DRD2 (0.79) DRD2DRD3DRD4
SCHEMBL6903938 0.56 DRD2 (0.39) DRD2DRD3DRD4

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-4454150-A 6,7,8,9-Tetrahydro-3H-benz(e)indol-7-amines and a method of dopamine receptor stimulation therewith AYERST, MCKENNA & HARRISON INC. (US) 1984-06-12 US disclosed