SCHEMBL11083068

SCHEMBL11083068

CCCCCCCCCCCCCCCCCCNCc1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.81
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 3/20 0.62
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SCN8A Q9UQD0 1/20 0.58
CYP2C19 P33261 2/20 0.54
FES P07332 1/20 0.54
RET P07949 1/20 0.54
MARK3 P27448 1/20 0.54
TYK2 P29597 1/20 0.54
FLT4 P35916 1/20 0.54
SYK P43405 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL10556589 1.00 CHRM2 (0.81) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL19509215 1.00 CHRM2 (0.81) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL2188249 0.98 CHRM2 (0.78) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL2711100 0.93 CHRM2 (0.75) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL11594897 0.90 CHRM2 (0.93) CHRM2CYP1A2CYP2D6ALDH1A1NPSR1
SCHEMBL27298367 0.89 CHRM2 (0.69) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL8728583 0.88 CHRM2 (0.68) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL3738479 0.86 CYP1A2 (0.71) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
Hydrochloric Acid SCHEMBL5379316 0.85 CYP1A2 (0.69) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL2187759 0.84 TDP1 (0.70) CHRM2CYP1A2CYP2D6TDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426306-A Antioxidants and lubricating oil containing same STANDARD OIL COMPANY (INDIANA) (US) 1984-01-17 US claimed
EP-2524958-B1 LUBRICANT COMPOSITIONS CONTAINING A HETEROAROMATIC COMPOUND AFTON CHEMICAL CORP (US) 2021-07-07 EP disclosed
US-4426306-A Antioxidants and lubricating oil containing same STANDARD OIL COMPANY (INDIANA) (US) 1984-01-17 US disclosed
US-4390437-A PYRIDYLPHENYL KETIMINE STANDARD OIL COMPANY (INDIANA) (US) 1983-06-28 US disclosed