SCHEMBL21042779

SCHEMBL21042779

CNC(=O)c1cn(Cc2cccc(OC)c2F)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 2/20 0.48
▸ PDE6A P16499 2/20 0.48
▸ PDE6G P18545 2/20 0.48
▸ PDE6B P35913 2/20 0.48
▸ PDE6C P51160 2/20 0.48
▸ PDE6H Q13956 2/20 0.48
▸ CHRM1 P11229 4/20 0.45
▸ KLKB1 P03952 12/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40

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
SCHEMBL22001387 0.83 CHRM1 (0.70) CHRM1
SCHEMBL16593499 0.83 CHRM1 (0.70) CHRM1
SCHEMBL21043474 0.81 CHRM1 (0.53) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL22001174 0.80 CHRM1 (0.56) CHRM1TP53MAPT
SCHEMBL22001185 0.79 PDE10A (0.48) CHRM1KLKB1PDE10A
SCHEMBL21043475 0.77 CHRM1 (0.54) CHRM1
SCHEMBL16395263 0.74 PDE7A (0.45) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL21043084 0.74 NPC1 (0.47) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395658 0.74 PDE6D (0.78) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395292 0.74 PDE6D (0.64) PDE6DPDE6APDE6GPDE6BPDE6C

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-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
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