SCHEMBL8548931

SCHEMBL8548931

CC(C)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.69
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ADRB3 P13945 1/20 0.45
ADRA1A P35348 1/20 0.45
GALR3 O60755 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL13379588 0.83 DRD2 (0.51) F2DRD2DRD4DRD3ADRB3
SCHEMBL13355728 0.82 DRD2 (0.50) F2DRD2DRD4DRD3ADRB3
SCHEMBL8543078 0.81 F2 (1.00) F2
SCHEMBL8544231 0.81 F2 (1.00) F2
SCHEMBL15945993 0.80 DRD2 (0.47) F2DRD2DRD4DRD3ADRB3
Hydrochloric Acid SCHEMBL8542002 0.80 F2 (0.98) F2
SCHEMBL7336884 0.80 GALR3 (0.64) GALR3HSP90AA1
SCHEMBL3125560 0.79 DRD2 (0.46) F2DRD2DRD4DRD3ADRB3
SCHEMBL8546481 0.79 F2 (0.65) F2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL8543551 0.78 F2 (0.98) F2

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed