SCHEMBL11564261

SCHEMBL11564261

Cc1cc(C)cc(CCN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.50
HRH3 Q9Y5N1 4/20 0.50
HTR7 P34969 2/20 0.44
NOS3 P29474 6/20 0.42
NOS1 P29475 6/20 0.42
NOS2 P35228 6/20 0.42
CHRNA7 P36544 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
SCHEMBL15077303 0.89 ALDH1A1 (0.48) TAAR1HRH3HTR7NOS3NOS1
SCHEMBL28071130 0.84 TAAR1 (0.59) TAAR1HRH3HTR7CHRNA7
SCHEMBL10169147 0.80 NOS1 (0.44) TAAR1HRH3NOS3NOS1NOS2
SCHEMBL5163115 0.78 HRH3 (0.44) TAAR1HRH3HTR7NOS3NOS1
SCHEMBL3690305 0.78 ALDH1A1 (0.44) TAAR1HRH3
SCHEMBL3055268 0.78 TAAR1 (0.63) TAAR1HRH3HTR7CHRNA7
SCHEMBL427399 0.78 NOS1 (0.51) HRH3NOS3NOS1NOS2
SCHEMBL25975331 0.76 CHRNA7 (0.52) TAAR1HRH3HTR7NOS3NOS1
SCHEMBL3046909 0.75 HRH3 (0.70) TAAR1HRH3CHRNA7
SCHEMBL15872023 0.74 ALDH1A1 (0.46) TAAR1HRH3NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000490-A1 Substituted naphthyridinones, processes for their preparations and therapeutical applications MERCK & CO. INC. (US) 1979-02-07 EP disclosed