SCHEMBL7272848

SCHEMBL7272848

Oc1cccc2c1CCC(NCCCCCCNCCc1ccccc1)C2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
GRIN2B Q13224 9/20 0.58
SIGMAR1 Q99720 4/20 0.56
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
GRIN1 Q05586 1/20 0.50

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
Bromide SCHEMBL7281378 0.99 DRD2 (0.59) DRD2DRD4DRD3GRIN2BSIGMAR1
SCHEMBL6535583 0.92 GRIN2B (0.69) DRD2DRD4DRD3GRIN2BSIGMAR1
Hydrochloric Acid SCHEMBL20985478 0.91 GRIN2B (0.67) DRD2DRD4DRD3GRIN2BSIGMAR1
SCHEMBL11075369 0.90 DRD2 (0.70) DRD2DRD4DRD3GRIN2BSIGMAR1
SCHEMBL7270986 0.88 ADRA1A (0.65) DRD2DRD4DRD3GRIN2BSIGMAR1
SCHEMBL7270896 0.88 ADRA1A (0.65) DRD2DRD4DRD3GRIN2BSIGMAR1
Bromide SCHEMBL9792055 0.87 ADRA1A (0.64) DRD2DRD4DRD3GRIN2BSIGMAR1
Bromide SCHEMBL7271982 0.87 ADRA1A (0.64) DRD2DRD4DRD3GRIN2BSIGMAR1
SCHEMBL7281491 0.87 ADRA1A (0.63) DRD2DRD4DRD3GRIN2BSIGMAR1
Bromide SCHEMBL7272021 0.86 ADRA1A (0.62) DRD2DRD4DRD3GRIN2BSIGMAR1

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
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP claimed