SCHEMBL7849859

SCHEMBL7849859

CC(NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ ALDH1A1 P00352 3/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ GAA P10253 1/20 0.60
▸ KMT2A Q03164 6/20 0.56
▸ POLB P06746 2/20 0.56
▸ HPGD P15428 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ GFER P55789 1/20 0.54
▸ MEN1 O00255 5/20 0.53
▸ HCRTR1 O43613 1/20 0.53
▸ FAAH O00519 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50

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
SCHEMBL7674977 0.88 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7563359 0.85 MAPT (0.70) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL8241650 0.85 ALDH1A1 (0.85) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7678504 0.82 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7671177 0.82 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7848449 0.82 MAPT (0.65) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL26616376 0.81 MAPT (0.67) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7849756 0.81 ALDH1A1 (0.67) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL26616624 0.81 MAPT (0.67) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7851242 0.81 MAPT (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 — — WO disclosed
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