SCHEMBL9760792

SCHEMBL9760792

O=[N+]([O-])c1ccc(OC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
MAPT P10636 6/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.48
F10 P00742 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
SIRT6 Q8N6T7 2/20 0.44
ADRB1 P08588 1/20 0.44
SCD O00767 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACB O00763 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL7956874 0.92 ACACB (0.49) POLBMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL3704174 0.84 MAPT (0.65) POLBMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL7961706 0.83 MAPT (0.46) POLBMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL9761106 0.81 SIGMAR1 (0.64) POLBMAPTF10HRH3MEN1
SCHEMBL5864941 0.81 SCD (0.56) POLBMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL5632543 0.80 CHKA (0.46) POLBMAPTALDH1A1F10HRH3
SCHEMBL3439980 0.80 POLB (0.73) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL9827139 0.80 POLB (0.54) POLBMAPTCYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL7954922 0.79 CHKA (0.44) POLBMAPTALDH1A1F10HRH3
SCHEMBL11044966 0.78 EPHX2 (0.54) POLBMAPTALDH1A1KMT2ASLC6A2

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