SCHEMBL8289183

SCHEMBL8289183

O=C(I)Nc1cc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.72
MAPT P10636 2/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 1/20 0.69
KCNJ6 P48051 1/20 0.64
KCNJ5 P48544 1/20 0.64
KCNJ3 P48549 1/20 0.64
NTRK1 P04629 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL2482825 0.84 GRM5 (1.00) GRM5LMNA
SCHEMBL14133258 0.83 PTPN1 (0.83) GRM5MAPTLMNAALDH1A1KCNJ6
SCHEMBL3176234 0.82 GRM5 (0.67) GRM5MAPTLMNAALDH1A1NTRK1
SCHEMBL5924123 0.80 GRM5 (1.00) GRM5MAPTLMNAALDH1A1NTRK1
SCHEMBL11471937 0.79 GRM5 (0.64) GRM5MAPTLMNAALDH1A1NTRK1
SCHEMBL5924170 0.79 GRM5 (1.00) GRM5LMNA
SCHEMBL15070769 0.78 MAPT (0.75) GRM5MAPTLMNAALDH1A1NTRK1
SCHEMBL14133182 0.78 MAPT (0.79) GRM5MAPTLMNAALDH1A1KCNJ6
Difenamizole SCHEMBL25873 0.78 GRM5 (0.62) GRM5MAPTLMNAALDH1A1NTRK1
SCHEMBL5924283 0.78 GRM5 (1.00) GRM5MAPTLMNAALDH1A1

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-2005030128-A2 PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed