SCHEMBL21470491

SCHEMBL21470491

CN1CCc2ccc(Oc3c(F)cnc(N)c3C#Cc3cnn(C)c3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 4/20 0.34
▸ DRD5 P21918 4/20 0.34
▸ HAO1 Q9UJM8 2/20 0.34
▸ ASIC3 Q9UHC3 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ DRD2 P14416 3/20 0.31
▸ DRD3 P35462 3/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL23326727 0.89 HAO1 (0.38) HAO1HRH3CSF1RAXLMERTK
SCHEMBL21470496 0.85 NR1H2 (0.47) HAO1
SCHEMBL21470816 0.78 DRD1 (0.41) DRD1DRD5HRH3TLR7DRD2
SCHEMBL21470708 0.72 KIT (0.42) WNT1GSK3BDYRK1A
SCHEMBL23327006 0.70 F10 (0.39) —
SCHEMBL21470507 0.67 NR1H2 (0.47) —
SCHEMBL21470817 0.62 NR1H2 (0.56) —
SCHEMBL30966834 0.62 GRM5 (0.40) CSF1RAXL
SCHEMBL30845464 0.62 DRD1 (0.52) DRD1DRD5HRH3DRD2DRD3
SCHEMBL10573181 0.61 HRH3 (0.54) DRD1DRD5HRH3DRD2DRD3

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-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — WO disclosed
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