SCHEMBL2570503

SCHEMBL2570503

O=C(O)N1CCc2nc3ccnn3c(N3CCCOCC3)c2CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.58
HTR2A P28223 12/20 0.56
HTR2B P41595 12/20 0.56
LMNA P02545 5/20 0.44
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL9948010 0.85 HTR2C (0.54) HTR2CHTR2AHTR2BLMNAMAPT
SCHEMBL2573287 0.81 HTR2C (0.84) HTR2CHTR2AHTR2BLMNAKDM4E
SCHEMBL9947820 0.79 MEN1 (0.54) HTR2CHTR2AHTR2BLMNAMAPT
SCHEMBL2573429 0.79 HTR2C (0.50) HTR2CHTR2AHTR2BHSD17B10ALDH1A1
SCHEMBL2569024 0.77 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL2565601 0.76 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL9948356 0.76 HTR2C (0.83) HTR2CHTR2AHTR2BLMNA
SCHEMBL2569906 0.74 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL3347384 0.73 HTR2C (0.51) HTR2CHTR2AHTR2B
SCHEMBL2574852 0.73 HTR2C (0.43) HTR2CHTR2AHTR2B

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