SCHEMBL6888967

SCHEMBL6888967

COc1ccc(Cc2cc(C(=O)NC3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
KLK7 P49862 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CNR1 P21554 3/20 0.52
CNR2 P34972 2/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGDS O60760 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12802892 0.87 CHRM1 (0.53) MAPT
SCHEMBL6892258 0.87 GAA (0.56) MAPTALDH1A1CNR1CNR2RAB9A
SCHEMBL6890001 0.83 SMN1; SMN2 (0.51) MAPTALDH1A1CNR1CNR2RAB9A
SCHEMBL6892450 0.83 CHRM1 (0.54) MAPTALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL22212632 0.83 CHRM1 (0.61) RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL6892513 0.81 CHRM1 (0.64) RAB9A
SCHEMBL2224496 0.81 GAA (0.55) MAPTALDH1A1CNR1RAB9ASMN1; SMN2
SCHEMBL6890115 0.81 GAA (0.45) MAPTALDH1A1CNR1CNR2RAB9A
SCHEMBL6890076 0.81 KCNH2 (0.48) MAPTALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL6891970 0.81 GAA (0.49) MAPTALDH1A1RAB9ASMN1; SMN2GAA

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
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed