SCHEMBL19984707

SCHEMBL19984707

Cc1ccc(C2CCC(c3ccc(C)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
HTR2C P28335 5/20 0.37
OPRL1 P41146 5/20 0.36
HPGD P15428 1/20 0.34
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 2/20 0.31
HTR1A P08908 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
SCHEMBL21915666 1.00 NOTUM (0.38) NOTUMHTR2COPRL1HPGDSLC6A2
SCHEMBL802760 0.92 ESR2 (0.37) NOTUMHTR2COPRL1HPGD
SCHEMBL31026 0.92 ESR2 (0.37) NOTUMHTR2COPRL1HPGD
SCHEMBL12716351 0.92 OPRL1 (0.40) NOTUMHTR2COPRL1HPGD
SCHEMBL20312053 0.91 OPRL1 (0.37) NOTUMHTR2COPRL1HPGD
SCHEMBL23624806 0.90 NOTUM (0.34) NOTUMHTR2COPRL1HPGD
SCHEMBL12196538 0.90 ESR2 (0.37) NOTUMHTR2COPRL1HPGDSLC6A3
SCHEMBL17527749 0.90 NOTUM (0.34) NOTUMHTR2COPRL1HPGDHTR2A
SCHEMBL10030799 0.90 OPRL1 (0.38) HTR2COPRL1HPGD
SCHEMBL16768989 0.89 OPRL1 (0.37) NOTUMHTR2COPRL1HPGDSLC6A3

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
WO-2020064591-A1 AZO DYE MERCK PATENT GMBH (DE) 2020-04-02 WO disclosed
EP-2997109-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed