SCHEMBL6333319

SCHEMBL6333319

C[C@H]1CN(Cc2ccccc2)CC[C@H]1c1cc(Cl)cc2ccoc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
HTR1A P08908 1/20 0.42
ACHE P22303 5/20 0.41
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
BCHE P06276 4/20 0.38
BACE1 P56817 3/20 0.38

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
SCHEMBL6333323 1.00 DRD2 (0.42) DRD2HTR1AACHESIGMAR1ALDH1A1
SCHEMBL6333322 1.00 DRD2 (0.42) DRD2HTR1AACHESIGMAR1ALDH1A1
SCHEMBL6332479 0.89 ACHE (0.41) DRD2HTR1AACHESIGMAR1DRD4
SCHEMBL6332488 0.89 ACHE (0.41) DRD2HTR1AACHESIGMAR1DRD4
SCHEMBL6332483 0.89 ACHE (0.41) DRD2HTR1AACHESIGMAR1DRD4
SCHEMBL6335107 0.88 HTR1A (0.47) DRD2HTR1AACHESIGMAR1BCHE
SCHEMBL6333556 0.82 ACHE (0.42) DRD2HTR1AACHESIGMAR1KDM4E
SCHEMBL6333560 0.82 ACHE (0.42) DRD2HTR1AACHESIGMAR1KDM4E
SCHEMBL6333555 0.82 ACHE (0.42) DRD2HTR1AACHESIGMAR1KDM4E
SCHEMBL6333478 0.81 ACHE (0.40) DRD2HTR1AACHESIGMAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed