SCHEMBL14938808

SCHEMBL14938808

Cc1ccccc1CN1CCN(C2(c3ccccc3)C(=O)c3cccc(O)c3C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.50
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
COMT P21964 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
MPO P05164 1/20 0.40
HTT P42858 1/20 0.40
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL14939433 0.91 NPSR1 (0.59) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939404 0.89 NPSR1 (0.57) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940196 0.88 NPSR1 (0.70) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940093 0.88 NPSR1 (0.55) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939299 0.88 NPSR1 (0.58) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940444 0.86 NPSR1 (0.53) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939417 0.81 NPSR1 (0.60) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939994 0.81 NPSR1 (0.52) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940008 0.81 NPSR1 (0.56) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14938963 0.80 NPSR1 (0.58) NPSR1LMNAMAPTKMT2AALDH1A1

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