SCHEMBL3718329

SCHEMBL3718329

CC1CN(c2ccc3c(c2)CCN(C)C3)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
F10 P00742 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
SLC6A4 P31645 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
SCHEMBL3718323 0.86 HTR6 (0.45) HTR6F10MAOAMAOBDRD1
SCHEMBL14334868 0.86 HTR6 (0.46) HTR6MAOAMAOB
SCHEMBL2183799 0.83 F10 (0.50) HTR6F10MAOAMAOB
SCHEMBL2184137 0.83 MAOA (0.55) HTR6MAOAMAOB
SCHEMBL2184129 0.83 MAOA (0.55) HTR6MAOAMAOB
SCHEMBL2183807 0.83 F10 (0.50) HTR6F10MAOAMAOB
SCHEMBL14334352 0.82 HTR6 (0.66) HTR6MAOAMAOB
SCHEMBL14334461 0.81 HTR6 (0.41) HTR6F10MAOAMAOB
SCHEMBL2184779 0.79 F10 (0.40) HTR6F10MAOAMAOBDRD1
SCHEMBL2184784 0.78 GRM2 (0.41) HTR6F10MAOAMAOB

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-2220079-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2010-08-25 EP disclosed
WO-2009063028-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed