SCHEMBL23716108

SCHEMBL23716108

CC(C)=C/C(C)=C(\N)Cc1ccc(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 1/20 0.33
OPRK1 P41145 2/20 0.32
QPCT Q16769 2/20 0.32
QPCTL Q9NXS2 1/20 0.32
KCNK3 O14649 1/20 0.31
PNMT P11086 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PIK3CA P42336 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
F9 P00740 1/20 0.30
F10 P00742 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
SCHEMBL23716188 0.89 ANO1 (0.33) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL23716341 0.89 ANO1 (0.33) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL23715881 0.80 ANO1 (0.33) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL23716099 0.75 ANO1 (0.34) ANO1MAPTMAPK1GRM2GRM3
SCHEMBL23716075 0.75 IDO1 (0.40) PNMTTAAR1PIK3CASLC6A3
SCHEMBL23716287 0.73 ANO1 (0.34) ANO1MAPTMAPK1GRM2GRM3
SCHEMBL27371624 0.73 PNMT (0.39) ANO1MAPTMAPK1GRM2GRM3
SCHEMBL13567915 0.73 ANO1 (0.44) ANO1MAPTMAPK1OPRK1KCNK3
SCHEMBL1555918 0.73 MAPT (0.40) ANO1MAPTMAPK1GRM2OPRK1
SCHEMBL3397980 0.73 CA2 (0.47) ANO1MAPTMAPK1GRM2GRM3

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed