SCHEMBL3346865

SCHEMBL3346865

Clc1ccccc1C#CCOc1ccn2nccc2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.33
GRM5 P41594 1/20 0.32
DYRK1A Q13627 1/20 0.32
SCN5A Q14524 1/20 0.31

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
SCHEMBL3345871 0.85 CHRM2 (0.35) CHRM2CHRM1GRM5DYRK1ASCN5A
SCHEMBL3346516 0.85 ALOX5 (0.37) CHRM2CHRM1GRM5DYRK1ASCN5A
SCHEMBL3347130 0.82 CA12 (0.38) CHRM2CHRM1DYRK1ASCN5A
SCHEMBL3347334 0.81 GRM5 (0.37) CHRM2CHRM1PTGDR2GRM5
SCHEMBL3348468 0.80 GRM5 (0.45) GRM5DYRK1ASCN5A
SCHEMBL3348895 0.79 CHRM2 (0.40) CHRM2CHRM1PTGDR2GRM5DYRK1A
SCHEMBL3351121 0.77 GRM5 (0.34) GRM5DYRK1A
SCHEMBL3348444 0.76 CHRM2 (0.35) CHRM2CHRM1GRM5DYRK1ASCN5A
SCHEMBL3346158 0.76 CYP2A6 (0.44) GRM5
SCHEMBL3346833 0.75 GRM5 (0.50) PTGDR2GRM5DYRK1ASCN5A

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed