SCHEMBL9110771

SCHEMBL9110771

[CH2]C=CCCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
MAOB P27338 2/20 0.41
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
AOC3 Q16853 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
AOC2 O75106 1/20 0.39
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9110764 1.00 TAAR1 (0.46) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL1046175 0.84 TAAR1 (0.41) TAAR1
SCHEMBL1046173 0.84 TAAR1 (0.41) TAAR1
SCHEMBL2098742 0.78 TAAR1 (0.46) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL2098744 0.78 TAAR1 (0.46) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL3038309 0.77 GPR52 (0.50) TAAR1MAOBLOXL2
SCHEMBL3038310 0.77 GPR52 (0.50) TAAR1MAOBLOXL2
SCHEMBL7563217 0.77 TAAR1 (0.50) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL8995829 0.77 TRPA1 (0.44) TAAR1MAOBIDO1AGXTLOXL2
SCHEMBL8995827 0.77 TRPA1 (0.44) TAAR1MAOBIDO1AGXTLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed