SCHEMBL5020041

SCHEMBL5020041

Cc1cc(F)cc(OCc2ccccc2)c1C1=CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.42
HTR2C P28335 5/20 0.42
HTR2A P28223 4/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PRMT5 O14744 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
KDM1A O60341 1/20 0.40
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15227112 0.88 KDM1A (0.46) HTR6HTR2CHTR2AHTR7HTR1A
SCHEMBL5019958 0.79 HTR1A (0.54) HTR6HTR2CHTR2AHTR1ASLC6A2
SCHEMBL5020019 0.78 HTR6 (0.54) HTR6HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL6684030 0.78 HTR2C (0.46) HTR6HTR2CHTR2AHTR7HTR1A
SCHEMBL5019997 0.78 HTR1A (0.47) HTR6HTR2CHTR2AHTR1ASLC6A2
SCHEMBL1162025 0.74 HTR6 (0.51) HTR6HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL15236731 0.74 HTR2C (0.53) HTR6HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL31640013 0.71 HTR6 (0.52) HTR6HTR2CPRMT5SIGMAR1CCNT1
SCHEMBL4672600 0.70 PRMT5 (0.64) HTR6HTR2CSLC6A2SLC6A3PRMT5
SCHEMBL5020009 0.69 HTR1A (0.51) HTR6HTR2CHTR1ASLC6A2SLC6A4

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
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed