SCHEMBL7855516

SCHEMBL7855516

CC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ ALDH1A1 P00352 4/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ GAA P10253 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CDK4 P11802 2/20 0.52
▸ CCND1 P24385 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HCRTR1 O43613 1/20 0.51

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
SCHEMBL7563359 0.91 MAPT (0.70) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7848449 0.90 MAPT (0.65) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7851242 0.89 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7856733 0.87 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7678496 0.87 MAPT (0.62) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7671960 0.86 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7674910 0.85 MAPT (0.63) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7676896 0.83 MAPT (0.63) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL8241650 0.83 ALDH1A1 (0.85) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7678175 0.82 MMP9 (0.62) MAPTALDH1A1KDM4EL3MBTL1KMT2A

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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