SCHEMBL9763494

SCHEMBL9763494

CS(=O)(=O)Nc1ccc(C#CCOCCCCCCCCNCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.47
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
AR P10275 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.42
CHRM2 P08172 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL9764455 0.84 MAOA (0.40) DRD2DRD3DRD4MAOACHRM2
SCHEMBL9763725 0.81 DRD2 (0.51) DRD2DRD3DRD4ADRB2ADRB1
SCHEMBL9763021 0.80 AR (0.51) ADRB2ADRB1ADRB3ARHPGD
SCHEMBL9763303 0.80 NPC1 (0.46) DRD3NPC1RAB9AARHPGD
SCHEMBL9764480 0.78 MMP2 (0.43) MAOACHRM2SIGMAR1BCHEACHE
SCHEMBL9763136 0.78 DRD4 (0.47) DRD4NPC1RAB9ASMN1; SMN2MAOA
SCHEMBL9764632 0.77 DRD2 (0.47) DRD2DRD3DRD4ADRB2ADRB1
SCHEMBL9764622 0.77 DRD2 (0.47) DRD2DRD3DRD4ADRB2ADRB1
SCHEMBL9764451 0.76 SMN1; SMN2 (0.45) NPC1SMN1; SMN2MAOABCHEACHE
SCHEMBL9318691 0.75 SLC2A1 (0.48) MAOACHRM2BCHE

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed