SCHEMBL8622342

SCHEMBL8622342

CCCC(N1CCCCC1)N(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.42
▸ CXCR4 P61073 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL8595290 0.85 HTT (0.48) SLC6A2SLC6A3ALDH1A1KMT2AMEN1
SCHEMBL8557609 0.74 SIGMAR1 (0.51) SLC6A2SLC6A3SIGMAR1KMT2AMEN1
SCHEMBL25520498 0.73 SMN1; SMN2 (0.50) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL8553855 0.73 HTR2A (0.48) SLC6A2SLC6A3ALDH1A1KMT2AMEN1
SCHEMBL27449963 0.68 SMN1; SMN2 (0.51) SLC6A2SLC6A3ALDH1A1CYP2C9CYP2C19
SCHEMBL25524117 0.67 TDP1 (0.53) TDP1CCR5SMN1; SMN2
SCHEMBL4569289 0.67 ADAMTS4 (0.53) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL25525118 0.66 CCR5 (0.53) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL25526293 0.66 TDP1 (0.51) TDP1CCR5SMN1; SMN2
SCHEMBL10601133 0.65 CYP1A2 (0.62) SLC6A2SLC6A3ALDH1A1CYP3A4CYP2C9

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 4 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 claimed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 — — WO claimed
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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