SCHEMBL5733002

SCHEMBL5733002

CN(c1ccc2c(c1)CCO2)c1c(Cl)ccc2c1CCC(C(=O)C(F)(F)F)CN2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.34
FABP4 P15090 5/20 0.33
FABP3 P05413 2/20 0.33
ACVRL1 P37023 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 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
SCHEMBL507264 0.73 PKM (0.41) SLC6A9FABP4FABP3PRKAB2PRKAG1
SCHEMBL5731739 0.71 NOTUM (0.32)
Succinic Acid SCHEMBL507817 0.68 SLC6A9 (0.39) SLC6A9FABP4FABP3PRKAB2PRKAG1
SCHEMBL5733004 0.65 FABP4 (0.31) SLC6A9FABP4FABP3
SCHEMBL5757418 0.63 KDM4E (0.32)
SCHEMBL5732949 0.62 HSD11B1 (0.34)
SCHEMBL5743363 0.62 HTR2A (0.37)
SCHEMBL5736358 0.61 ALDH1A1 (0.37)
SCHEMBL6626721 0.61 ALDH1A1 (0.34)
SCHEMBL1915186 0.60 HDAC3 (0.44) EGFRPDGFRBKDR

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