SCHEMBL5313701

SCHEMBL5313701

N#CC12C3C4C1C1C2C3C41C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM4 Q14833 1/20 0.40

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
SCHEMBL838877 0.78 GRM5 (0.55) GRM5GRM1GRM2GRM4
Hydrochloric Acid SCHEMBL10875068 0.74 GRM5 (0.52) GRM5GRM1GRM2GRM4
SCHEMBL15000342 0.74
SCHEMBL20075241 0.70 ALDH1A1 (0.31)
SCHEMBL20130279 0.67 GRM5 (0.46) GRM5GRM1GRM2GRM4
SCHEMBL16887658 0.65 GRM5 (0.44) GRM5GRM1GRM2GRM4
SCHEMBL15055615 0.65 GRM5 (0.50) GRM5GRM1GRM2GRM4
SCHEMBL4732666 0.64 GRM5 (0.42) GRM5GRM1GRM2GRM4
Hydrochloric Acid SCHEMBL10875811 0.61 GRM5 (0.41) GRM5GRM1GRM2GRM4
SCHEMBL16886352 0.60 GRM5 (0.45) GRM5GRM1GRM2GRM4

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-2007059330-A2 CUBANE NUCLEOSIDE ANALOGS MEDKURA INC. (US) 2007-05-24 WO disclosed
WO-2007059330-A2 CUBANE NUCLEOSIDE ANALOGS MEDKURA INC. (US) 2007-05-24 WO disclosed