SCHEMBL2565601

SCHEMBL2565601

O=C(O)N1CCc2nc3ccnn3c(Cl)c2CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.44
HTR2B P41595 9/20 0.39
HTR2A P28223 8/20 0.39
PDE10A Q9Y233 2/20 0.35
PDE4B Q07343 6/20 0.33
PDE4D Q08499 6/20 0.33
PDE4A P27815 5/20 0.33
PDE4C Q08493 5/20 0.33
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL2569024 0.85 HTR2C (0.45) HTR2CHTR2BHTR2APDE10APDE4B
SCHEMBL9948092 0.82 POLB (0.42) HTR2CPDE10A
SCHEMBL2570142 0.81 MEN1 (0.47)
SCHEMBL2574852 0.79 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2574854 0.79 HTR2C (0.40) HTR2CHTR2BHTR2APDE4BPDE4D
SCHEMBL4955234 0.77 HTR2C (0.46) HTR2CHTR2BHTR2APDE10A
SCHEMBL4956864 0.77 HTR2C (0.46) HTR2CHTR2BHTR2APDE10A
SCHEMBL4955735 0.76 HTR2C (0.47) HTR2CHTR2BHTR2APDE10A
SCHEMBL2570503 0.76 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL2573429 0.76 HTR2C (0.50) HTR2CHTR2BHTR2A

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-2384328-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP disclosed
WO-2010060952-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-03 WO disclosed