SCHEMBL9759941

SCHEMBL9759941

CN(CCOc1ccc(N)cc1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.48
CGAS Q8N884 1/20 0.45
PRSS2 P07478 1/20 0.44
CTRC Q99895 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 3/20 0.42
GBA1 P04062 1/20 0.42
TSHR P16473 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HDAC1 Q13547 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL10412648 0.82 ALDH1A1 (0.47) TDP1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL9759914 0.81 ALDH1A1 (0.46) CGASTDP1CYP2D6CYP3A4TSHR
SCHEMBL9760110 0.79 KCNH2 (0.56) F2CHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL9759926 0.76 KCNH2 (0.58) F2PRSS2CTRCCYP2D6CYP1A2
SCHEMBL23634085 0.76 NPC1 (0.46) TDP1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3117214 0.76 KMT2A (0.59) TDP1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL56571 0.76 KEAP1 (0.67) TDP1TSHRKEAP1NFE2L2HRH3
SCHEMBL2022333 0.76 KCNH2 (0.56) TDP1TSHRKEAP1NFE2L2HRH3
SCHEMBL9732623 0.76 CYP11B1 (0.44) CGASCYP2D6CYP3A4TSHRHRH3
SCHEMBL23634075 0.75 KDM4E (0.46) TDP1TSHRKEAP1NFE2L2HRH3

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