SCHEMBL6338588

SCHEMBL6338588

CN(CCN1CCCC1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.62
▸ HTT P42858 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ NR2F2 P24468 1/20 0.54
▸ PDE4D Q08499 1/20 0.51
▸ MCOLN3 Q8TDD5 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR7 P34969 2/20 0.47

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
SCHEMBL5149238 0.83 SIGMAR1 (0.72) SIGMAR1HTR2AHTR2CHTR7KMT2A
SCHEMBL9635340 0.80 PDE4D (0.57) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL8595287 0.79 HTR7 (0.54) HTTLMNASMN1; SMN2RAB9AMCOLN3
SCHEMBL14468188 0.79 SIGMAR1 (0.74) SIGMAR1ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL5431476 0.79 SIGMAR1 (0.59) SIGMAR1LMNATSHRALDH1A1HSD17B10
SCHEMBL14093583 0.79 PDE4D (0.59) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL14445631 0.78 SIGMAR1 (0.69) SIGMAR1SMN1; SMN2ALDH1A1HSD17B10HTR2A
SCHEMBL4271065 0.78 SIGMAR1 (0.97) SIGMAR1ALDH1A1HSD17B10CXCR4
SCHEMBL6371454 0.77 PDE4D (0.57) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL14093582 0.76 PDE4D (0.56) HTTLMNASMN1; SMN2RAB9ANPC1

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
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 — — US disclosed
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 — — EP disclosed
EP-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 — — EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 — — WO disclosed
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