SCHEMBL14040261

SCHEMBL14040261

OCC1CCc2[nH]c3ccc(Cl)c(Cl)c3c2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.42
VPS4B O75351 1/20 0.34
VCP P55072 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KMT2A Q03164 2/20 0.32
HTR1B P28222 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
BTK Q06187 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL14040246 0.88 AR (0.35) ARVPS4BVCPKMT2AHTR1B
SCHEMBL4902826 0.86 AR (0.39) ARVPS4BVCPGRIN2DGRIN3B
SCHEMBL4902968 0.78 SIRT1 (0.54) ARKMT2AHTR1BSIRT1
SCHEMBL4906049 0.78 SIRT1 (0.43) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20602071 0.78 AR (0.42) ARKMT2AHTR1BNR2E1MEN1
SCHEMBL4901767 0.75 AR (0.39) ARVPS4BVCPHTR1BNR2E1
SCHEMBL10746281 0.72 NR2E1 (0.61) NR2E1
SCHEMBL14041492 0.72 VPS4B (0.41) ARVPS4BVCPKMT2AHTR1B
SCHEMBL14041654 0.71 TAAR1 (0.50) TRPV1NR2E1BTK
SCHEMBL14040265 0.71 RB1 (0.48) VPS4BVCPGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975159-A1 2,3,4,9-Tetrahydro-1H-carbazoles Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-01 EP disclosed