SCHEMBL7092032

SCHEMBL7092032

CCC[C](C)CC1OCCc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 4/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SRD5A1 P18405 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
HTR1D P28221 5/20 0.31
HTR1B P28222 1/20 0.31
DRD2 P14416 3/20 0.31
HTR1A P08908 2/20 0.31
DRD4 P21917 1/20 0.31
KMT2A Q03164 2/20 0.31
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL20718641 0.81 MAPT (0.41) MAPTHTTTHRBHTR2ASLC6A2
SCHEMBL5093605 0.79 MAPT (0.43) MAPTHTTTHRBGAAL3MBTL1
SCHEMBL5090662 0.79 MAPT (0.43) MAPTHTTTHRBGAAL3MBTL1
SCHEMBL7092030 0.78 MAPT (0.39) MAPTHTTTHRBGAAL3MBTL1
SCHEMBL28745705 0.78 MAPT (0.39) MAPTHTTTHRBGAAL3MBTL1
SCHEMBL5098858 0.78 MAPT (0.41) MAPTHTTTHRBHTR2ACAMK2A
SCHEMBL5088620 0.75 PNMT (0.41) MAPTHTTHTR2ASLC6A4CAMK2A
SCHEMBL5090707 0.75 PNMT (0.41) MAPTHTTHTR2ASLC6A4CAMK2A
SCHEMBL20699974 0.75 DRD1 (0.49) MAPTHTTHTR2ASLC6A2HTR2C
SCHEMBL20700301 0.74 TAAR1 (0.55) MAPTHTTTHRBGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed