SCHEMBL21581648

SCHEMBL21581648

COc1cc(Oc2cc(C)ccn2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ DRD1 P21728 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL21580697 0.85 MRGPRX4 (0.40) ARMRGPRX4PDGFRBPDGFRANPC1
SCHEMBL21581647 0.83 DRD1 (0.42) ARDRD1PDGFRBPDGFRANPC1
SCHEMBL14281622 0.83 PDGFRB (0.54) ARDRD1PDGFRBPDGFRANPC1
SCHEMBL21581644 0.81 S1PR1 (0.44) ARDRD1PDGFRBPDGFRANPC1
SCHEMBL21581583 0.79 DYRK1A (0.44) ARDRD1PDGFRBPDGFRANPC1
SCHEMBL21610244 0.77 MRGPRX4 (0.40) ARMRGPRX4MAPK10GAAMEN1
SCHEMBL21581601 0.77 DRD1 (0.40) DRD1NPC1RAB9ASCN10AKMT2A
SCHEMBL7909509 0.74 CA12 (0.56) ARMRGPRX4SMN1; SMN2GAAMEN1
SCHEMBL12073737 0.74 ACHE (0.56) ARMRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL31193485 0.74 CA12 (0.56) ARMRGPRX4SMN1; SMN2GAAMEN1

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
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 — — WO disclosed
Send feedback