SCHEMBL30834503

SCHEMBL30834503

Cc1ccc2c(c1C1CCc3c(nc[nH]c3=O)C1)COC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.32
KRAS P01116 1/20 0.32
SRC P12931 2/20 0.31
ADRA1A P35348 1/20 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
SCHEMBL21722189 1.00 GRM7 (0.32) GRM7KRASSRCADRA1A
SCHEMBL21734011 0.73 KRAS (0.41) GRM7KRAS
SCHEMBL21722231 0.73 KRAS (0.41) GRM7KRAS
SCHEMBL30834506 0.73 KRAS (0.41) GRM7KRAS
SCHEMBL20836477 0.72 GRM7 (0.46) GRM7ADRA1A
SCHEMBL31483708 0.72 GRM7 (0.46) GRM7ADRA1A
SCHEMBL21722290 0.72 MAPT (0.36)
SCHEMBL21733758 0.72 KMT2A (0.39)
SCHEMBL24854593 0.72 GRM7 (0.43) GRM7KRAS
SCHEMBL21734020 0.72 GRM7 (0.33) GRM7KRAS

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
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed