SCHEMBL8545390

SCHEMBL8545390

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.64
ADRB3 P13945 3/20 0.46
MAP2K4 P45985 1/20 0.44
ADRA1A P35348 1/20 0.41

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
SCHEMBL8546481 0.99 F2 (0.65) F2ADRB3MAP2K4ADRA1A
SCHEMBL13379555 0.83 ADRB3 (0.49) F2ADRB3MAP2K4ADRA1A
SCHEMBL13355599 0.83 ADRB3 (0.47) F2ADRB3MAP2K4ADRA1A
SCHEMBL7337051 0.81 MEN1 (0.56)
SCHEMBL3124999 0.81 MAP2K4 (0.44) ADRB3MAP2K4ADRA1A
SCHEMBL15946005 0.81 CTPS1 (0.54) ADRB3MAP2K4ADRA1A
SCHEMBL2150553 0.81 NPC1 (0.49) F2ADRB3MAP2K4ADRA1A
Hydrochloric Acid SCHEMBL3133610 0.80 MAP2K4 (0.43) ADRB3MAP2K4ADRA1A
SCHEMBL8543078 0.78 F2 (1.00) F2
SCHEMBL8548931 0.78 F2 (0.69) F2ADRB3ADRA1A

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