SCHEMBL9759914

SCHEMBL9759914

CN(CCN(C)c1ccc(N)cc1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
KCNA1 Q09470 1/20 0.46
CGAS Q8N884 1/20 0.42
PSMD14 O00487 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL16914897 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1CYP3A4TDP1ALOX15
SCHEMBL9732623 0.85 CYP11B1 (0.44) ALDH1A1MAPK1CYP3A4CHRM5CHKA
SCHEMBL9759941 0.81 F2 (0.48) ALDH1A1CYP3A4TDP1MAPTTSHR
SCHEMBL177904 0.81 MAPT (0.52) ALDH1A1MAPK1CYP3A4TDP1ALOX15
SCHEMBL55931 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1CYP3A4TDP1ALOX15
SCHEMBL14409566 0.81 CHRM5 (0.52) ALOX15CHRM5CHKAMAPTSMN1; SMN2
SCHEMBL2392177 0.81 CYP3A4 (0.47) ALDH1A1MAPK1CYP3A4TDP1ALOX15
Hydrochloric Acid SCHEMBL3570619 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1CYP3A4TDP1ALOX15
SCHEMBL4700413 0.79 CHRM5 (0.50) CHRM5CHKAMAPTSMN1; SMN2
SCHEMBL10955815 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1CYP3A4TDP1ALOX15

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