SCHEMBL5596512

SCHEMBL5596512

COc1cccc(CCOc2n[c]ccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 1/20 0.43
ABCB1 P08183 4/20 0.43
MAOB P27338 4/20 0.43
NR3C2 P08235 1/20 0.43
BCHE P06276 1/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL5596509 0.85 TAAR1 (0.41) TAAR1SIGMAR1AOC3MAOB
SCHEMBL5620124 0.77 RAB9A (0.49) MAOB
SCHEMBL791977 0.76 TAAR1 (0.67) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL835268 0.76 TAAR1 (0.54) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL27717492 0.75 TAAR1 (0.61) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL5596701 0.73 APP (0.50) MAOB
SCHEMBL30080050 0.72 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.72 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL12945605 0.71 TAAR1 (0.56) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL17230492 0.70 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed