SCHEMBL27653527

SCHEMBL27653527

COc1ccccc1CC1=NCCO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ AR P10275 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL4654210 0.76 HSPA5 (0.50) TAAR1TSHRMAPTIDO1KDM4E
SCHEMBL1178823 0.75 TAAR1 (0.52) TAAR1L3MBTL1ATMTSHRMAPK1
SCHEMBL29207386 0.73 ADRA2A (0.51) TAAR1L3MBTL1TSHRMAPK1MAPT
SCHEMBL3296809 0.73 IDO1 (0.61) TAAR1L3MBTL1ATMMAPTIDO1
SCHEMBL27633073 0.71 LTA4H (0.46) ATMTSHRIDO1LMNAALDH1A1
SCHEMBL27653530 0.70 HTR1B (0.55) TAAR1IDO1SIGMAR1AOC3CHRM2
Hydrochloric Acid SCHEMBL28113238 0.69 TAAR1 (0.44) TAAR1L3MBTL1TSHRMAPTLMNA
SCHEMBL31241506 0.69 TAAR1 (0.46) TAAR1L3MBTL1MAPK1MAPTLMNA
SCHEMBL5163690 0.69 TAAR1 (0.46) TAAR1L3MBTL1MAPK1MAPTLMNA
SCHEMBL26078623 0.69 NISCH (0.58) TAAR1TSHRMAPK1MAPTLMNA

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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