SCHEMBL3346526

SCHEMBL3346526

Clc1cccc(C#CCCc2ccn3nccc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.37
CYP2D6 P10635 1/20 0.34
KCNN3 Q9UGI6 1/20 0.33
DYRK1A Q13627 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 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
SCHEMBL3348887 0.86 GRM5 (0.38) GRM5DYRK1ACHRM2CHRM1
SCHEMBL3346840 0.86 GRM5 (0.36) GRM5KCNN3DYRK1A
SCHEMBL3347219 0.85 GRM5 (0.37) GRM5DYRK1A
SCHEMBL3346940 0.83 GRM5 (0.42) GRM5CYP2D6KCNH2
SCHEMBL3347525 0.81 CHRNB2 (0.46) GRM5CYP2D6
SCHEMBL3351121 0.78 GRM5 (0.34) GRM5KCNN3DYRK1A
SCHEMBL3348895 0.78 CHRM2 (0.40) GRM5CYP2D6KCNN3DYRK1AKCNH2
SCHEMBL3348434 0.77 GRM5 (0.54) GRM5DYRK1AKCNH2
SCHEMBL3347283 0.77 CYP2A6 (0.36) GRM5DYRK1A
SCHEMBL3345876 0.75 GRM5 (0.53) GRM5CYP2D6

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