SCHEMBL4693610

SCHEMBL4693610

COCCCCN(C)C(=O)c1cn2c(nc3ccc(CN(OC(C)(C)C)C(=C=O)[C@H]4CCCO4)cc32)s1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.51
REN P00797 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ITK Q08881 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
SCHEMBL5544726 0.84 GRM1 (0.47) GRM1
SCHEMBL4693604 0.81 GRM1 (0.53) GRM1
Hydrochloric Acid SCHEMBL4691954 0.77 GRM1 (0.52) GRM1NPC1RAB9A
SCHEMBL5544676 0.76 GRM1 (0.47) GRM1NPC1RAB9AITK
SCHEMBL4693608 0.76 GRM1 (0.46) GRM1ITK
SCHEMBL4692984 0.74 GRM1 (0.47) GRM1
SCHEMBL5544680 0.73 GRM1 (0.48) GRM1
SCHEMBL5544673 0.73 GRM1 (0.48) GRM1
Hydrochloric Acid SCHEMBL5544773 0.72 GRM1 (0.46) GRM1NPC1RAB9AITK
Hydrochloric Acid SCHEMBL4691962 0.71 GRM1 (0.46) GRM1NPC1RAB9AITK

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
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed