SCHEMBL3353813

SCHEMBL3353813

Cc1nc(C#CCO)cs1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.68
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4154176 0.82 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL15483095 0.81 GRM5 (0.53) GRM5CYP1A2CYP2D6
SCHEMBL3346786 0.74 GRM5 (0.42) GRM5
SCHEMBL5567321 0.74 GRM5 (0.46) GRM5CYP1A2CYP2D6
SCHEMBL28749297 0.74
SCHEMBL1244046 0.73
SCHEMBL1243386 0.72 GRM5 (0.56) GRM5CYP1A2CYP2D6
SCHEMBL102265 0.72 GRM5 (0.60) GRM5CYP1A2CYP2D6
SCHEMBL18873238 0.71 GRM5 (0.54) GRM5CYP1A2CYP2D6
SCHEMBL6750170 0.69 GRM5 (0.39) GRM5

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
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