SCHEMBL13746615

SCHEMBL13746615

CN(C)S(=O)(=O)CCCn1c2c(c3cc(C#N)ccc31)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 11/20 1.00
▸ RORC P51449 1/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ AVPR2 P30518 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ DRD3 P35462 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
SCHEMBL4028636 0.80 SCARB1 (0.67) SCARB1RORCHRH1HTR6PTGS1
SCHEMBL4194079 0.80 SCARB1 (0.67) SCARB1RORCHRH1HTR6CHRM2
SCHEMBL4188561 0.79 SCARB1 (0.67) SCARB1RORCHRH1HTR6CHRM2
SCHEMBL4203284 0.79 SCARB1 (0.67) SCARB1RORCHRH1HTR6CHRM2
SCHEMBL13747535 0.77 SCARB1 (0.63) SCARB1RORCHRH1HTR6CHRM2
SCHEMBL13747174 0.77 SCARB1 (0.63) SCARB1RORCHRH1HTR6CHRM2
SCHEMBL4031809 0.75 SCARB1 (0.62) SCARB1RORCHRH1HTR6CHRM2
SCHEMBL4195391 0.75 SCARB1 (0.72) SCARB1RORCHRH1HTR6
SCHEMBL541977 0.75 RORC (0.59) SCARB1RORCHRH1HTR6
SCHEMBL4204690 0.73 SCARB1 (1.00) SCARB1

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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