SCHEMBL27909415

SCHEMBL27909415

O=[N+]([O-])c1ccc(Cl)cc1N1CCC(N2[CH]N(Cc3cccc4[nH]ccc34)c3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ GAA P10253 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ GOT1 P17174 4/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ RECQL P46063 1/20 0.36

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
SCHEMBL27909302 0.85 MAPT (0.52) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL27892282 0.84 MAPT (0.42) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9982895 0.81 C5AR1 (0.42) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL27909350 0.75 OPRM1 (0.43) MAPTOPRM1OPRK1OPRL1GAA
SCHEMBL30784585 0.67 MAPT (0.72) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3536097 0.66 LMNA (0.73) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9982413 0.66 C5AR1 (0.43) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9982680 0.65 C5AR1 (0.49) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3534109 0.65 LMNA (0.71) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9982900 0.64 GOT1 (0.41) MAPTOPRM1OPRK1OPRL1GAA

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-102947275-A Piperidinyl-substituted 1, 3-dihydro-benzimidazol-2-ylideneamine derivatives NOVARTIS AG 2013-02-27 — — CN disclosed
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