SCHEMBL2950843

SCHEMBL2950843

CCCNC1Cc2ccc(NS(=O)(=O)c3ccc(C(C)CF)cc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.41
DRD3 P35462 9/20 0.41
HTR6 P50406 5/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
MLNR O43193 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.39
PNMT P11086 4/20 0.39
CA12 O43570 2/20 0.39

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
SCHEMBL4106625 0.92 HTR1D (0.51) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL4106767 0.92 HTR1D (0.51) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL4101568 0.92 HTR1D (0.51) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL4106772 0.92 HTR1D (0.51) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL4101572 0.92 HTR1D (0.51) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL1545326 0.90 TRIM24 (0.46) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL1546368 0.90 TRIM24 (0.46) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL1545323 0.90 TRIM24 (0.46) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1546028 0.89 TRIM24 (0.45) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1546025 0.89 TRIM24 (0.45) DRD2DRD3HTR6HTR2AHTR2C

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-7759397-B2 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-07-20 US claimed