SCHEMBL20536797

SCHEMBL20536797

COCC(=O)N1CCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 5/20 0.59
THRB P10828 2/20 0.59
IDO1 P14902 3/20 0.59
KCNH2 Q12809 2/20 0.59
LMNA P02545 5/20 0.56
POLB P06746 2/20 0.55

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
SCHEMBL1950469 0.84 DRD4 (0.50) MAPTTP53THRBIDO1KCNH2
SCHEMBL20537300 0.84 SMN1; SMN2 (0.53) MAPTSMN1; SMN2TP53THRBIDO1
SCHEMBL1948375 0.78 DRD2 (0.51) MAPTTHRBLMNAPOLB
SCHEMBL1950866 0.78 DRD2 (0.48) MAPTTP53THRBIDO1KCNH2
SCHEMBL20536802 0.77 KDM4E (0.53) MAPTSMN1; SMN2
SCHEMBL25779984 0.76 IDO1 (0.81) MAPTTP53THRBIDO1KCNH2
SCHEMBL25780604 0.75 TP53 (0.66) MAPTSMN1; SMN2TP53THRBIDO1
SCHEMBL7409209 0.74 IDO1 (0.60) MAPTSMN1; SMN2TP53THRBIDO1
SCHEMBL1788003 0.74 SMN1; SMN2 (0.53) MAPTSMN1; SMN2TP53THRBIDO1
SCHEMBL22397728 0.74 IDO1 (1.00) MAPTTP53THRBIDO1KCNH2

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-2438055-B1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS JAPAN TOBACCO INC (JP) 2018-10-24 EP claimed