SCHEMBL10429666

SCHEMBL10429666

CCCCCc1ccc(OCC2CCC([C@H]3CC[C@H](CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
CNR2 P34972 12/20 0.34
CNR1 P21554 8/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL8451741 1.00 RIPK1 (0.36) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL8451737 1.00 RIPK1 (0.36) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL8451744 1.00 RIPK1 (0.36) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9405983 0.99 CNR2 (0.35) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9406103 0.99 CNR2 (0.35) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9405877 0.99 CNR2 (0.35) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9406101 0.99 CNR2 (0.35) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9405979 0.99 CNR2 (0.35) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9405876 0.99 CNR2 (0.35) RIPK1CNR2CNR1HTR2AHTR2C
SCHEMBL9405761 0.96 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B

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-0400068-A1 DERIVATIVES OF 2,3-DIFLUOROPHENOL MERCK PATENT GmbH (DE) 1990-12-05 EP disclosed
WO-1989008632-A1 DERIVATIVES OF 2,3-DIFLUOROPHENOL MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed