SCHEMBL5124488

SCHEMBL5124488

CCN1CC[C@@H](c2c3n(c4ccc(OC(C)C)cc24)S(=O)(=O)c2ccccc2-3)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
DRD4 P21917 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
HTR2A P28223 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 2/20 0.32
CHRM3 P20309 1/20 0.31

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
SCHEMBL4058603 0.90 HTR6 (0.53) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4047803 0.90 HTR6 (0.53) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4047804 0.90 HTR6 (0.42) HTR6DRD4ALDH1A1MAPK1HTR2A
SCHEMBL5785901 0.90 HTR6 (0.53) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4058499 0.90 HTR6 (0.42) HTR6DRD4ALDH1A1MAPK1HTR2A
SCHEMBL14177905 0.90 HTR6 (0.42) HTR6DRD4ALDH1A1MAPK1HTR2A
SCHEMBL14177904 0.89 HTR6 (0.43) HTR6DRD4ADRA1DADRA1AADRA1B
SCHEMBL4050240 0.89 HTR6 (0.43) HTR6DRD4ADRA1DADRA1AADRA1B
SCHEMBL4057234 0.89 HTR6 (0.43) HTR6DRD4ADRA1DADRA1AADRA1B
SCHEMBL4053320 0.83 HTR6 (0.46) HTR6ADRA1DADRA1AADRA1BALDH1A1

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-7388024-B2 Indeno[2,1A]indenes and isoindolo[2,1-A]indoles SUVEN LIFE SCIENCES LIMITED (IN) 2008-06-17 US claimed