SCHEMBL5728580

SCHEMBL5728580

C[C@H](CN)OCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 9/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
TRPA1 O75762 1/20 0.39
APP P05067 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL23634056 0.82 IDO1 (0.47) IDO1AGXTMAOBLOXL2TRPA1
SCHEMBL17227561 0.82 LOXL2 (0.43) IDO1MAOBLOXL2APPCHRNB2
SCHEMBL18579549 0.81 CHRNA4 (0.56) IDO1AGXTMAOBTAAR1CA1
SCHEMBL17227254 0.81 CHRNA4 (0.56) IDO1AGXTMAOBTAAR1CA1
SCHEMBL7864015 0.80 IDO1 (0.46) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL8781581 0.80 IDO1 (0.54) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL21587147 0.80 IDO1 (0.48) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL18579815 0.80 IDO1 (0.46) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL18580195 0.80 IDO1 (0.46) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL6676589 0.79 IDO1 (0.52) IDO1AGXTMAOBLOXL2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed