SCHEMBL28069904

SCHEMBL28069904

NCc1ccc(-c2ccc(OB(O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
TAAR1 Q96RJ0 3/20 0.48
ST14 Q9Y5Y6 3/20 0.45
F11 P03951 1/20 0.45
ABAT P80404 1/20 0.41
MAOB P27338 6/20 0.40
CYP2A6 P11509 1/20 0.39
ADRB2 P07550 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL3591237 0.94 ST14 (0.50) HRH3ST14F11ABATMAOB
SCHEMBL28067255 0.92 ST14 (0.48) HRH3ST14F11ABATMAOB
Hydrochloric Acid SCHEMBL3457459 0.92 F11 (0.54) HRH3ST14F11ABATMAOB
SCHEMBL28069848 0.84 TAAR1 (0.50) HRH3TAAR1ST14F11MAOB
SCHEMBL29278208 0.83 ST14 (0.41) HRH3ST14F11ABATMAOB
SCHEMBL1973121 0.82 ESR2 (0.39)
SCHEMBL7851797 0.80 LPL (0.47) MAOB
SCHEMBL28069845 0.79 ST14 (0.39) HRH3TAAR1ST14F11MAOB
SCHEMBL29112149 0.78 TAAR1 (0.55) TAAR1MAOBCYP2A6
SCHEMBL18205777 0.77 LPL (0.50) MAOB

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-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN disclosed