SCHEMBL20206822

SCHEMBL20206822

CC(C)(C)c1ccc(F)cc1CCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.41
HTR2C P28335 8/20 0.41
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 6/20 0.39
OPRL1 P41146 1/20 0.35

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
SCHEMBL20207515 0.90 SLC6A2 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL18404537 0.79 HTR2A (0.47) HTR2AHTR2COPRL1
SCHEMBL18176645 0.79 F2RL1 (0.38)
SCHEMBL26540975 0.77 PARK7 (0.36) HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL16935946 0.77 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL16935935 0.76 HTR2A (0.43) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL28027009 0.75 HTR2A (0.43) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL20201907 0.75 DDR1 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL14850384 0.75 ALOX5 (0.41)
SCHEMBL21718976 0.74 PTGS1 (0.37) HTR2ASLC6A2SLC6A4

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed