SCHEMBL5733004

SCHEMBL5733004

CN(c1ccc2c(c1)CCO2)C1CCC(C(=O)C(F)(F)F)CC1C1=CC=CC=C(Cl)N1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.31
FABP3 P05413 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A9 P48067 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
SCHEMBL5733002 0.65 SLC6A9 (0.34) FABP4FABP3SLC6A9
SCHEMBL5732880 0.64
SCHEMBL5732968 0.63 GRM5 (0.31)
SCHEMBL5823365 0.60 KDM1A (0.32)
SCHEMBL3638984 0.59 EGFR (0.38) FABP4FABP3SLC6A2SLC6A4
SCHEMBL1915186 0.58 HDAC3 (0.44) SLC6A2SLC6A4
SCHEMBL5733449 0.58
SCHEMBL3636790 0.58 MAPK14 (0.41) FABP4FABP3SLC6A2SLC6A4
SCHEMBL3639703 0.57 MAPK14 (0.38) FABP4FABP3SLC6A2SLC6A4
SCHEMBL5693114 0.57

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