SCHEMBL9760464

SCHEMBL9760464

CS(=O)(=O)Nc1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ADRB1 P08588 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
KCNH2 Q12809 3/20 0.49
SLC6A3 Q01959 2/20 0.49
HTR3A P46098 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AR P10275 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP2D6 P10635 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 1/20 0.45
PGR P06401 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 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
SCHEMBL29813099 0.84 SCN9A (0.48) TDP1ADRB1NPC1RAB9ASLC6A2
SCHEMBL5564172 0.81 TDP1 (0.63) TDP1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL8801971 0.78 HRH1 (0.51) NPC1RAB9AKCNH2HPGDSMN1; SMN2
SCHEMBL12659968 0.78 TDP1 (0.58) TDP1SLC6A2SLC6A4KCNH2SLC6A3
Hydrochloric Acid SCHEMBL9444476 0.77 KDM4E (0.51) HPGDSMN1; SMN2LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL384404 0.77 TDP1 (0.61) TDP1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL26966823 0.76 NPC1 (0.48) ADRB1NPC1RAB9AKCNH2HPGD
SCHEMBL1474972 0.76 MRGPRX1 (0.52) TDP1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL82372 0.76 TDP1 (0.73) TDP1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL8781070 0.75 MMP2 (0.61) TDP1ADRB1NPC1RAB9AKCNH2

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
US-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed