SCHEMBL9761106

SCHEMBL9761106

O=[N+]([O-])c1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
POLB P06746 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
F10 P00742 4/20 0.50
MAPT P10636 3/20 0.46
ENPP2 Q13822 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9760792 0.81 POLB (0.51) POLBHRH3F10MAPTMEN1
SCHEMBL5632401 0.81 F10 (0.55) SIGMAR1HRH3F10
SCHEMBL2566683 0.80 SIGMAR1 (0.78) SIGMAR1HRH3MAPTLMNA
SCHEMBL1674342 0.79 SIGMAR1 (0.73) SIGMAR1POLBHRH3
SCHEMBL8681292 0.79 F10 (0.51) SIGMAR1HRH3F10
SCHEMBL7398480 0.79 ITGB3 (0.53) HRH3F10
SCHEMBL7362580 0.78 SIGMAR1 (1.00) SIGMAR1
SCHEMBL27935608 0.77 SIGMAR1 (0.70) SIGMAR1KMT2A
SCHEMBL27935609 0.77 SIGMAR1 (0.70) SIGMAR1HRH3MAPT
SCHEMBL2562011 0.77 SIGMAR1 (0.69) SIGMAR1HRH3

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