SCHEMBL20204767

SCHEMBL20204767

Cc1ccc(F)c(O[C@@H](C)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 1/20 0.43
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
FFAR1 O14842 1/20 0.38
HPGD P15428 1/20 0.36
IDH1 O75874 1/20 0.35
IDH2 P48735 1/20 0.35
ACHE P22303 1/20 0.34
SYK P43405 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
GLA P06280 1/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20204777 1.00 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1AOPRM1
SCHEMBL879131 0.83 ACHE (0.40) SLC6A4SLC6A2SLC6A3HTR1AOPRM1
SCHEMBL20201958 0.82 ADRB2 (0.40) OPRM1OPRL1HPGDACHE
SCHEMBL23052634 0.81 BCHE (0.33) SLC6A4SLC6A2SLC6A3HPGDACHE
SCHEMBL21350282 0.81 BCHE (0.33) SLC6A4SLC6A2SLC6A3HPGDACHE
SCHEMBL21325084 0.79 PDE2A (0.35) HTR1AHPGDIDH1IDH2HTR2A
SCHEMBL21325070 0.79 PDE2A (0.35) HTR1AHPGDIDH1IDH2HTR2A
SCHEMBL21984762 0.76 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL900869 0.76 ALDH1A1 (0.45) SLC6A4SLC6A2SLC6A3HTR1AACHE
SCHEMBL10206062 0.73 SYK (0.50) SLC6A4SLC6A2SLC6A3HTR1AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed