SCHEMBL7678504

SCHEMBL7678504

Cc1c(N)ccc(C(C)NC(=O)CCc2c[nH]c3ccccc23)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ GFER P55789 1/20 0.46

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
SCHEMBL7671177 0.90 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7849859 0.82 MAPT (0.67) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7674977 0.81 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7563359 0.80 MAPT (0.70) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL8241650 0.79 ALDH1A1 (0.85) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7848449 0.79 MAPT (0.65) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL25609773 0.78 MAPT (0.66) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7677155 0.77 ALDH1A1 (0.61) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7849756 0.76 ALDH1A1 (0.67) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL26616376 0.76 MAPT (0.67) MAPTALDH1A1KDM4EL3MBTL1GAA

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
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 — — US disclosed
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