SCHEMBL5753065

SCHEMBL5753065

CCCCOC(=O)C1CNCCc2c1ccc(C#N)c2SC(C)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5732863 0.77
SCHEMBL5753064 0.73 HRH2 (0.39)
SCHEMBL506554 0.70 HTR2C (0.46)
SCHEMBL507589 0.60 GPR119 (0.42) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL6192353 0.59 MC4R (0.48)
SCHEMBL30013156 0.58 HRH2 (0.43) ALDH1A1GAAMAPT
SCHEMBL30509937 0.58 PGR (0.43) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL24379347 0.56 ESR1 (0.51) ALDH1A1RECQLMAPK1
SCHEMBL10306272 0.56 MC4R (0.41) ALDH1A1
SCHEMBL8274236 0.56 FAAH (0.47) ALDH1A1MAPK1

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