SCHEMBL9759900

SCHEMBL9759900

CS(=O)(=O)Nc1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.52
F10 P00742 6/20 0.51
KCNH2 Q12809 1/20 0.45
JAK2 O60674 2/20 0.45
JAK3 P52333 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB3 P13945 1/20 0.44
LTA4H P09960 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9761013 0.89 F10 (0.47) ADRB1F10HRH2HRH1HRH3
SCHEMBL9760149 0.82 IDO1 (0.45) ADRB1KCNH2JAK2JAK3ADRB2
SCHEMBL9760074 0.82 DRD2 (0.55) F10SMN1; SMN2
SCHEMBL5632390 0.81 ALDH1A1 (0.45) F10NPC1ARHRH2HRH1
SCHEMBL6576136 0.81 CYP3A4 (0.47) F10ARSMN1; SMN2
SCHEMBL5633362 0.81 ALDH1A1 (0.54) ADRB1F10HRH2HRH1HRH3
SCHEMBL5633359 0.81 ALDH1A1 (0.54) ADRB1F10HRH2HRH1HRH3
SCHEMBL5631650 0.81 ALDH1A1 (0.56) F10NPC1SMN1; SMN2HRH1HRH3
SCHEMBL9760771 0.80 F10 (0.49) F10HPGD
SCHEMBL9759732 0.80 ADRB1 (0.43) ADRB1KCNH2JAK2JAK3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US claimed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP claimed
US-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed