SCHEMBL2570616

SCHEMBL2570616

O=C(O)N1CCc2nc3c(I)cnn3c(N3CCC3)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR6 P50406 1/20 0.39
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9948174 0.84 CKS1B (0.43) HTR2CHTR6MAPTMEN1KMT2A
SCHEMBL10217064 0.71 CKS1B (0.43) HTR2CHTR6MAPTMEN1KMT2A
SCHEMBL10217575 0.69 GPR119 (0.41) HTR2CMAPT
SCHEMBL2570503 0.69 HTR2C (0.58) HTR2CHTR2AHTR2BMAPTKDM4E
SCHEMBL10217518 0.68 CKS1B (0.41) HTR6MAPTHPGD
SCHEMBL2574254 0.68 HPGD (0.36) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL9948065 0.67 SPR (0.40) MAPTMEN1KMT2ANPSR1POLB
SCHEMBL10217537 0.64 HTR2C (0.56) HTR2CHTR6HTR2AHTR2BMAPT
SCHEMBL2571513 0.64 HTR2C (0.62) HTR2CHTR6HTR2AHTR2BMAPT
SCHEMBL2571532 0.64 HTR2C (0.58) HTR2CHTR6HTR2AHTR2BMAPT

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