SCHEMBL21646445

SCHEMBL21646445

COc1cnc(C)c(N2CCB(C#N)CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.33
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
HTR6 P50406 1/20 0.31
DHFR P00374 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CLK1 P49759 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL23639179 0.78 GRM2 (0.31)
SCHEMBL24783779 0.77 DRD2 (0.42) HTR3ADHFR
SCHEMBL30047074 0.76 HTR3A (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24784244 0.76 HTR3A (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL23403785 0.74 HTR3A (0.54) MAPTHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL21626121 0.74 HTR3A (0.54) MAPTHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL29974181 0.74 HTR3A (0.54) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL25124477 0.73 HRH3 (0.42) GAAMAPTHTR6
SCHEMBL24675501 0.67 KMT2A (0.42) MAPT
SCHEMBL23073599 0.64 ADRB1 (0.51)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
WO-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 WO disclosed