SCHEMBL4062804

SCHEMBL4062804

CC(C)N1CC(c2cn(C)c3cc(-n4ccc(-c5ccc(F)cc5)cc4=O)ccc23)C1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.49
DRD2 P14416 2/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL13653331 0.80 MCHR1 (0.55) MCHR1
SCHEMBL4231766 0.76 MCHR1 (0.51) MCHR1
SCHEMBL4238507 0.75 MCHR1 (0.58) MCHR1
SCHEMBL13653419 0.72 MCHR1 (0.55) MCHR1
SCHEMBL4566536 0.68 MCHR1 (0.58) MCHR1
SCHEMBL4374344 0.67 MCHR1 (0.39) MCHR1DRD2SLC6A4
SCHEMBL3478374 0.66 MCHR1 (1.00) MCHR1
Hydrochloric Acid SCHEMBL3476127 0.65 MCHR1 (0.98) MCHR1
SCHEMBL15977191 0.65 MCHR1 (0.81) MCHR1
SCHEMBL6637142 0.65 DRD2 (0.64) DRD2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed