SCHEMBL6187575

SCHEMBL6187575

COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1N1CCN(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
PDE4A P27815 1/20 0.65
PDE4B Q07343 1/20 0.65
PDE4C Q08493 1/20 0.65
PDE4D Q08499 1/20 0.65
HTR6 P50406 3/20 0.62
TSHR P16473 2/20 0.60
MCOLN3 Q8TDD5 1/20 0.60
MEN1 O00255 3/20 0.59
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL6187429 0.87 HTR6 (0.65) KMT2AHTR6MEN1LMNA
SCHEMBL6186532 0.86 HTR6 (0.64) KMT2AHTR6MEN1
SCHEMBL8325887 0.86 PDE4A (0.86) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6188091 0.85 HTR6 (0.53) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6191274 0.85 HTR6 (0.60) KMT2AHTR6
SCHEMBL6187548 0.84 HTR6 (0.61) KMT2AHTR6
SCHEMBL17049204 0.81 KMT2A (0.74) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6186261 0.81 HTR6 (0.81) KMT2AHTR6MEN1
SCHEMBL31058476 0.80 KMT2A (0.69) KMT2APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6188261 0.80 HTR6 (0.79) KMT2AHTR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US disclosed