SCHEMBL4775977

SCHEMBL4775977

O=C(C1CCc2c(ccc(Cl)c2NCc2ccc(-c3cc(NCC4CC4)ncn3)cc2)NC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
VCP P55072 10/20 0.38
GPR39 O43194 1/20 0.36
CRHR1 P34998 1/20 0.35
CLK4 Q9HAZ1 3/20 0.35
DYRK1A Q13627 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4775975 0.85 TBK1 (0.37) TBK1TRPV1CLK4ALDH1A1CYP1A2
SCHEMBL5767548 0.78 RAB9A (0.33) CRHR1ALDH1A1
SCHEMBL2580356 0.78 TRPV1 (0.43) TBK1TRPV1VCPGPR39CLK4
SCHEMBL5736358 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5763645 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5755390 0.76 P2RX7 (0.32)
SCHEMBL4765020 0.76 POLB (0.33)
SCHEMBL2586731 0.75 TRPV1 (0.42) TBK1TRPV1VCPGPR39CLK4
Succinic Acid SCHEMBL2584817 0.75 TRPV1 (0.39) TBK1TRPV1VCPGPR39CLK4
SCHEMBL4778531 0.73

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