SCHEMBL3402683

SCHEMBL3402683

O=C1c2ccc(Cl)nc2CCN1CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.52
TNIK Q9UKE5 1/20 0.40
CLPP Q16740 1/20 0.39
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL3370931 0.93 GRM5 (0.54) GRM5KCNH2GRM2
SCHEMBL3370875 0.89 GRM5 (0.47) GRM5TNIKKCNH2GRM2
SCHEMBL3371568 0.78 GRM5 (0.41) GRM5
SCHEMBL3402822 0.75 GRM5 (0.46) GRM5KCNH2
SCHEMBL3406745 0.75 GRM5 (0.50) GRM5CLPPKCNH2GRM2
SCHEMBL3372611 0.75 GRM5 (0.38) GRM5
SCHEMBL3369525 0.73 GRM5 (0.37) GRM5
SCHEMBL3370941 0.73 GRM5 (0.47) GRM5KCNH2
SCHEMBL3401858 0.73 LMNA (0.49) GRM5TNIKKCNH2GRM2
SCHEMBL10314894 0.72 GRM5 (0.50) GRM5KCNH2

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-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed