SCHEMBL14939404

SCHEMBL14939404

CCc1cccc2c1C(=O)C(c1ccccc1)(N1CCN(Cc3ccccc3C)CC1)C2=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.47
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2A13 Q16696 1/20 0.40
HTR7 P34969 1/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 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 0.93 NPSR1 (0.59) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14940196 0.90 NPSR1 (0.70) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14938808 0.89 NPSR1 (0.55) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14939299 0.89 NPSR1 (0.58) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14940093 0.89 NPSR1 (0.55) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14939694 0.89 NPSR1 (0.73) NPSR1LMNAMAPTALDH1A1GAA
SCHEMBL14940444 0.88 NPSR1 (0.53) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14940046 0.86 NPSR1 (0.54) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14939081 0.84 NPSR1 (0.56) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL14939244 0.84 NPSR1 (0.71) NPSR1LMNAKMT2AMAPTHTR7

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