SCHEMBL8388917

SCHEMBL8388917

CC(=O)Nc1cccc(Cn2c3ccccc3c3ccc(OC(C)=O)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ S1PR3 Q99500 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ERCC5 P28715 2/20 0.46
▸ ELANE P08246 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ SRC P12931 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL8390497 0.91 NPSR1 (0.50) NPSR1MAPTLMNAL3MBTL1S1PR3
SCHEMBL9056373 0.86 ELANE (0.57) MAPTLMNAS1PR3MEN1KMT2A
SCHEMBL8389023 0.85 CYP3A4 (0.49) MAPTS1PR3MEN1KMT2AELANE
SCHEMBL8390685 0.82 DYRK1A (0.50) S1PR3ELANEMAOB
SCHEMBL8390500 0.82 MAPT (0.58) NPSR1MAPTLMNAL3MBTL1MEN1
SCHEMBL8388916 0.81 KDM4E (0.54) NPSR1MAPTLMNAL3MBTL1MEN1
SCHEMBL8387038 0.81 KMT2A (0.54) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL8391192 0.81 S1PR3 (0.49) MAPTS1PR3MEN1KMT2AELANE
SCHEMBL9056683 0.80 NPSR1 (0.64) NPSR1MAPTLMNAL3MBTL1MEN1
SCHEMBL8389101 0.79 DYRK1A (0.52) L3MBTL1S1PR3ELANEMAOB

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
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 — — US disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 — — WO disclosed
Send feedback