SCHEMBL9761013

SCHEMBL9761013

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.47
ADRB1 P08588 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL9759900 0.89 ADRB1 (0.52) F10ADRB1HRH3HRH2HRH1
SCHEMBL9760771 0.80 F10 (0.49) F10ITGB3ITGA2B
SCHEMBL9760074 0.80 DRD2 (0.55) F10
SCHEMBL5632390 0.80 ALDH1A1 (0.45) F10HRH3HRH2HRH1IKBKB
SCHEMBL5631650 0.79 ALDH1A1 (0.56) F10HRH3HRH1
SCHEMBL5633362 0.79 ALDH1A1 (0.54) F10ADRB1HRH3HRH2HRH1
SCHEMBL6576136 0.79 CYP3A4 (0.47) F10
SCHEMBL5633359 0.79 ALDH1A1 (0.54) F10ADRB1HRH3HRH2HRH1
SCHEMBL7113722 0.78 F10 (0.55) F10HRH3HRH2HRH1
SCHEMBL7113715 0.78 F10 (0.55) F10HRH3HRH2HRH1

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
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