SCHEMBL8647595

SCHEMBL8647595

C[C@H](CCN1CCN(c2ccccc2)CC1)N(C)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 13/20 0.72
▸ HTR2A P28223 5/20 0.57
▸ HTR2C P28335 5/20 0.57
▸ DRD3 P35462 3/20 0.54
▸ HTR6 P50406 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ P2RX7 Q99572 2/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ HTR1D P28221 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
SCHEMBL8553908 0.79 HTR7 (1.00) HTR7HTR2AHTR2CDRD3HTR1A
Hydrochloric Acid SCHEMBL8593597 0.78 HTR7 (0.98) HTR7HTR2AHTR2CDRD3HTR1A
SCHEMBL9489271 0.76 P2RX7 (0.64) HTR7HTR2AHTR2CDRD3HTR6
SCHEMBL8552181 0.73 HTR7 (0.77) HTR7HTR2AHTR2CDRD3HTR1A
SCHEMBL9488051 0.73 P2RX7 (0.83) P2RX7
SCHEMBL9484420 0.70 P2RX7 (0.83) P2RX7
SCHEMBL5247641 0.70 MEN1 (0.57) HTR7HTR6
SCHEMBL13995405 0.70 SIGMAR1 (0.66) HTR1ADRD2
SCHEMBL2952847 0.69 MAPT (0.71) HTR7HTR2AHTR6HTR1ADRD2
SCHEMBL9373661 0.69 KDM4E (0.71) HTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883613-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-12-16 — — EP disclosed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 — — WO disclosed
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