SCHEMBL23715951

SCHEMBL23715951

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
IDO1 P14902 2/20 0.31
KCNK3 O14649 1/20 0.31
PTGER4 P35408 1/20 0.30
PNMT P11086 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
PIK3CA P42336 1/20 0.30
GRM3 Q14832 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
SCHEMBL23716262 0.87 IDO1 (0.43) IDO1PNMTTAAR1PIK3CA
SCHEMBL23715909 0.80 ANO1 (0.34) GRM2ANO1MAPTMAPK1PNMT
SCHEMBL23716007 0.77 IDO1 (0.42) IDO1TAAR1
SCHEMBL23716188 0.76 ANO1 (0.33) GRM2ANO1MAPTMAPK1KCNK3
SCHEMBL23716287 0.75 ANO1 (0.34) GRM2ANO1MAPTMAPK1TRPV1
SCHEMBL23716108 0.72 ANO1 (0.34) GRM2ANO1MAPTMAPK1KCNK3
SCHEMBL3397980 0.72 CA2 (0.47) GRM2ANO1MAPTMAPK1PIK3CA
SCHEMBL23716099 0.71 ANO1 (0.34) GRM2ANO1MAPTMAPK1PNMT
SCHEMBL23715911 0.71 CCR3 (0.37) ANO1MAPTMAPK1PTGER4
SCHEMBL23716341 0.70 ANO1 (0.33) GRM2ANO1MAPTMAPK1KCNK3

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