SCHEMBL14940335

SCHEMBL14940335

Cc1ccc(F)cc1CN1CCN(C2(c3cccc(C(F)F)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
TACR1 P25103 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14940014 0.90 NPSR1 (0.51) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939262 0.90 NPSR1 (0.53) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939138 0.88 NPSR1 (0.51) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939270 0.88 NPSR1 (0.61) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939180 0.87 NPSR1 (0.50) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939168 0.87 MAPT (0.53) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939576 0.86 NPSR1 (0.48) NPSR1MAPTALDH1A1KDM4EACHE
SCHEMBL14940139 0.85 NPSR1 (0.51) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939615 0.85 MAPT (0.53) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939335 0.85 TP53 (0.48) NPSR1MAPTLMNAALDH1A1GAA

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
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO claimed