SCHEMBL13453067

SCHEMBL13453067

Cc1ccc2c(N3CCN(CC(C)(C)C=O)CC3)noc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.42
DRD2 P14416 13/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 2/20 0.42
HTR1A P08908 9/20 0.39
KCNH2 Q12809 2/20 0.38
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RPLP1 P05386 1/20 0.37
RPLP0 P05388 1/20 0.37
RPS17 P08708 1/20 0.37
RPSA P08865 1/20 0.37
RPS2 P15880 1/20 0.37
RPL35A P18077 1/20 0.37
RPL7 P18124 1/20 0.37
RPL17 P18621 1/20 0.37
RPS4Y1 P22090 1/20 0.37
RPS3 P23396 1/20 0.37
RPS12 P25398 1/20 0.37
RPL13 P26373 1/20 0.37

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
SCHEMBL2734245 0.87 HTR2A (0.43) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL13453339 0.85 HTR2A (0.49) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL2733202 0.84 HTR2C (0.51) HTR2ADRD2HTR7HTR6
SCHEMBL20404164 0.80 MEN1 (0.49) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL2734240 0.75 HTR2C (0.53) HTR2ADRD2
SCHEMBL14748264 0.74 HTR2A (0.50) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL14735704 0.73 HTR2A (0.51) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL14748221 0.73 HTR2A (0.51) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL13013927 0.73 HTR2A (0.51) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6219432 0.72 HTR2C (0.44) HTR6HTR1AKCNH2RPLP1RPLP0

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-1877390-B1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF HYPNION INC (US) 2010-03-24 EP disclosed