SCHEMBL17502005

SCHEMBL17502005

CCC(C(=O)O)C(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.61
HTR6 P50406 14/20 0.61
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 2/20 0.54
ADRA2A P08913 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR7 P34969 3/20 0.53
ADRA1A P35348 3/20 0.53
DRD2 P14416 2/20 0.53
BCHE P06276 2/20 0.51
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49

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
SCHEMBL17502092 0.90 HRH1 (0.61) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL12480265 0.87 HRH1 (0.63) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL176759 0.84 HRH1 (0.66) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL168755 0.84 HRH1 (0.69) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL169624 0.84 HRH1 (0.61) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13834437 0.83 HRH1 (0.62) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL176200 0.82 HRH1 (0.69) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL16638444 0.82 HRH1 (0.61) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL12479326 0.81 HRH1 (0.58) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13834421 0.81 HRH1 (0.65) HRH1HTR6GRIN1GRIN2AGRIN2B

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-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP claimed