SCHEMBL4746086

SCHEMBL4746086

Fc1ccc(CCCC2CCN(Cc3nc4cccc5c4n3[C@@H](Cl)CC5)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 1/20 0.39
ACHE P22303 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4949205 0.83 NPC1 (0.42) SLC6A3SLC6A4MAOBCYP2D6
SCHEMBL4950357 0.78 ACHE (0.37) SLC6A3SLC6A4MAOBCYP2D6ACHE
SCHEMBL4139579 0.77 CYP2D6 (0.43) SLC6A3SLC6A4MAOBCYP2D6DRD2
SCHEMBL4947552 0.75 CYP2D6 (0.39) SLC6A3SLC6A4MAOBCYP2D6ACHE
SCHEMBL4152111 0.74 GRM2 (0.58) DRD2
SCHEMBL4750908 0.72 MAOB (0.38) SLC6A3SLC6A4MAOBCYP2D6ACHE
SCHEMBL4949797 0.72 ACHE (0.38) SLC6A3SLC6A4MAOBCYP2D6ACHE
SCHEMBL4161960 0.71 ACHE (0.47) MAOBACHEDRD2HTR2AHTR2C
SCHEMBL4147399 0.71 MAOB (0.46) SLC6A3SLC6A4MAOBACHEDRD2
SCHEMBL23696355 0.70 SSTR5 (0.61) SLC6A3SLC6A4CYP2D6DRD2HTR2A

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-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed