SCHEMBL14939433

SCHEMBL14939433

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 4/20 0.54
MAPT P10636 5/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A13 Q16696 1/20 0.42
ACHE P22303 1/20 0.41
HTR7 P34969 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL14939404 0.93 NPSR1 (0.57) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940196 0.92 NPSR1 (0.70) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14938808 0.91 NPSR1 (0.55) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939299 0.91 NPSR1 (0.58) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940093 0.91 NPSR1 (0.55) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940444 0.90 NPSR1 (0.53) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939994 0.89 NPSR1 (0.52) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14939097 0.85 NPSR1 (0.64) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL14939417 0.85 NPSR1 (0.60) NPSR1LMNAMAPTKMT2AALDH1A1
SCHEMBL14940008 0.84 NPSR1 (0.56) 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