SCHEMBL27653530

SCHEMBL27653530

COc1cccc(CC2=NCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.55
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ TAAR1 Q96RJ0 3/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ DRD4 P21917 1/20 0.41
▸ HRH3 Q9Y5N1 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
SCHEMBL27633073 0.81 LTA4H (0.46) IDO1
SCHEMBL27633076 0.80 TAAR1 (0.40) TAAR1IDO1HRH3
SCHEMBL27407213 0.75 HTR1B (0.50) HTR1BCHRM2CHRM1CHRM3TAAR1
SCHEMBL2099512 0.75 CHRM2 (0.66) HTR1BCHRM2CHRM1CHRM3TAAR1
Hydrochloric Acid SCHEMBL28113238 0.74 TAAR1 (0.44) TAAR1ADRA2AADRA1A
SCHEMBL27653546 0.74 CYP2D6 (0.51) TAAR1SIGMAR1HRH3
SCHEMBL28703818 0.71 HTR1B (0.46) HTR1BCHRM2CHRM1CHRM3TAAR1
SCHEMBL11285405 0.71 CYP1A2 (0.47) —
SCHEMBL8731588 0.71 NISCH (0.51) ADRA2AADRA1A
SCHEMBL28951257 0.71 CHRM2 (0.56) HTR1BCHRM2CHRM1CHRM3TAAR1

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
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 — — CN disclosed
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