SCHEMBL4768530

SCHEMBL4768530

CC1CC1C(=O)Nc1ccccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ GAA P10253 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HPGD P15428 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ GLA P06280 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45

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
SCHEMBL13989027 0.80 TRPM8 (0.54) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL6935299 0.76 KMT2A (0.69) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL29769835 0.75 L3MBTL1 (0.63) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL1084996 0.75 L3MBTL1 (0.63) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL6858019 0.75 GAA (0.66) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL4766358 0.73 GAA (0.69) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL30107521 0.73 GAA (0.64) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL6222692 0.73 GAA (0.64) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL21874386 0.72 CTSC (0.52) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL21399658 0.72 GAA (0.46) L3MBTL1GAAALDH1A1KDM4EKMT2A

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-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 — — EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 — — WO disclosed
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