SCHEMBL28098286

SCHEMBL28098286

Cc1ccc2c(c1)c1c(n2CC(C(=O)C(Cn2c3c(c4cc(C)ccc42)CN(C)CC3)c2ccc(F)cc2)c2ccc(F)cc2)CCN(C)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.64
HRH1 P35367 12/20 0.64
GRIN1 Q05586 3/20 0.59
GRIN2A Q12879 3/20 0.59
GRIN2B Q13224 3/20 0.59
GRIN2D O15399 2/20 0.59
GRIN3B O60391 2/20 0.59
GRIN2C Q14957 2/20 0.59
GRIN3A Q8TCU5 2/20 0.59
HDAC6 Q9UBN7 2/20 0.55
HDAC1 Q13547 1/20 0.55
BCHE P06276 3/20 0.55
ADRA2A P08913 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR7 P34969 3/20 0.54
ADRA1A P35348 3/20 0.54
DRD2 P14416 2/20 0.53
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL13696312 0.93 HTR6 (0.63) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL13834017 0.92 HTR6 (0.62) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL13696316 0.92 HTR6 (0.61) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL167305 0.88 HTR6 (0.69) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL4129997 0.86 HTR6 (0.69) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL169588 0.86 HTR6 (0.61) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL12480215 0.85 HTR6 (0.67) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL168561 0.85 HTR6 (0.57) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL13834626 0.84 HTR6 (0.66) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL168280 0.83 HTR6 (0.58) HTR6HRH1GRIN1GRIN2AGRIN2B

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
CN-103476416-B The Compounds and methods for for the treatment of hypertension 梅迪维新技术公司 2016-09-21 CN disclosed