SCHEMBL3345871

SCHEMBL3345871

Fc1ccccc1C#CCOc1ccn2nccc2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
TGFBR1 P36897 1/20 0.34
SCN5A Q14524 1/20 0.33
DYRK1A Q13627 1/20 0.32
GRM5 P41594 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL3346865 0.85 CHRM2 (0.35) CHRM2CHRM1SCN5ADYRK1AGRM5
SCHEMBL3346516 0.85 ALOX5 (0.37) CHRM2CHRM1TGFBR1SCN5ADYRK1A
SCHEMBL3347130 0.82 CA12 (0.38) CHRM2CHRM1SCN5ADYRK1A
SCHEMBL3345574 0.81 GRM5 (0.34) CHRM2CHRM1GRM5CHRNB2CHRNA4
SCHEMBL3348468 0.80 GRM5 (0.45) TGFBR1SCN5ADYRK1AGRM5
SCHEMBL3346741 0.79 ADORA2B (0.42) CHRM2CHRM1SCN5ADYRK1AGRM5
SCHEMBL3346239 0.77 GRM5 (0.39) TGFBR1SCN5ADYRK1AGRM5
SCHEMBL3348444 0.76 CHRM2 (0.35) CHRM2CHRM1SCN5ADYRK1AGRM5
SCHEMBL3346158 0.76 CYP2A6 (0.44) GRM5CHRNB2CHRNA4
SCHEMBL3347060 0.75 GRM5 (0.35) TGFBR1SCN5AGRM5

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