SCHEMBL29980741

SCHEMBL29980741

c1ccc2c(c1)CN1CCNCC21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.73
HTR2C P28335 6/20 0.46
HTR2B P41595 6/20 0.46
HTR2A P28223 4/20 0.46
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL11192963 1.00 TAAR1 (0.73) TAAR1HTR2CHTR2BHTR2ADRD2
Azaquinzole SCHEMBL18863221 0.85 TAAR1 (1.00) TAAR1HTR2CHTR2BHTR2ACHRNA7
Azaquinzole SCHEMBL29387769 0.85 TAAR1 (1.00) TAAR1HTR2CHTR2BHTR2ACHRNA7
Azaquinzole SCHEMBL697061 0.85 TAAR1 (1.00) TAAR1HTR2CHTR2BHTR2ACHRNA7
SCHEMBL11385866 0.78 TAAR1 (0.50) TAAR1HTR2CHTR2BHTR2A
SCHEMBL11377565 0.78 DRD2 (0.52) TAAR1DRD2DRD1DRD4DRD5
SCHEMBL11375091 0.78 TAAR1 (0.50) TAAR1HTR2CHTR2BHTR2A
SCHEMBL10671994 0.74 TAAR1 (0.54) TAAR1
SCHEMBL10704863 0.74 TAAR1 (0.54) TAAR1
SCHEMBL10704866 0.74 TAAR1 (0.54) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065586-A1 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-10-05 EP claimed
EP-4065586-A1 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-10-05 EP disclosed