SCHEMBL19445472

SCHEMBL19445472

Fc1cccc(C2CCC(C3CCC(S)CC3)CC2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HCRTR2 O43614 6/20 0.36
HTR1A P08908 4/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NOTUM Q6P988 1/20 0.33
OPRL1 P41146 1/20 0.33
CALCRL Q16602 1/20 0.32
ABCB1 P08183 1/20 0.31
TP53 P04637 1/20 0.31
CXCR2 P25025 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
SCHEMBL20629488 0.95 HTR2C (0.41) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL12477783 0.85 HTR2C (0.47) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL18466393 0.84 OPRL1 (0.42) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL20821851 0.83 HTR2C (0.38) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL8728213 0.83 CALCRL (0.41) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL10091235 0.83 HTR2C (0.38) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL21891948 0.81 OPRL1 (0.40) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL21510990 0.81 FEN1 (0.35) OPRL1ABCB1
SCHEMBL14568295 0.80 HTR2C (0.40) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL8724510 0.80 HCRTR2 (0.37) HTR2CHTR2BHCRTR2HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578665-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-03-13 EP disclosed
EP-3075816-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2018-05-23 EP disclosed
EP-2889358-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-10-11 EP disclosed