SCHEMBL11548795

SCHEMBL11548795

O=C1CCc2ccccc2N1OCCCC[S+]([O-])c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.48
DRD2 P14416 10/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
DRD4 P21917 9/20 0.35
DRD3 P35462 9/20 0.35
CHRM2 P08172 7/20 0.35
CHRM4 P08173 7/20 0.35
CHRM5 P08912 7/20 0.35
CHRM1 P11229 7/20 0.35
CHRM3 P20309 7/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
HPGD P15428 1/20 0.34
SLC6A4 P31645 3/20 0.33

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
SCHEMBL11548797 1.00 ALOX12 (0.48) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL4778735 0.84 ALOX12 (0.59) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL31402597 0.78 ALOX12 (0.56) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL29561934 0.78 ALOX12 (0.52) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL29562204 0.78 ALOX12 (0.52) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL4610933 0.78 ALOX12 (0.56) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL9277091 0.77 ALOX12 (0.51) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL27786051 0.77 DRD2 (0.51) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL11289350 0.77 ALOX12 (0.51) ALOX12DRD2KCNH2POLBDRD4
SCHEMBL11281590 0.73 ALOX12 (0.47) ALOX12DRD2KCNH2POLBSMN1; SMN2

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-0003771-A1 Carbostyrile derivatives, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-09-05 EP claimed