SCHEMBL14939710

SCHEMBL14939710

CCc1ccccc1CN1CCN(C2(c3cc(C)ccn3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
HTR7 P34969 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 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
SCHEMBL14939398 0.92 NPSR1 (0.46) NPSR1TP53KMT2ALMNAALDH1A1
SCHEMBL14940228 0.90 TP53 (0.47) NPSR1TP53KMT2AALDH1A1MEN1
SCHEMBL14939762 0.89 ALDH1A1 (0.45) NPSR1KMT2AMAPTALDH1A1MEN1
SCHEMBL14939558 0.88 NPSR1 (0.62) NPSR1KMT2AMAPTDRD4LMNA
SCHEMBL14939260 0.87 NPSR1 (0.49) NPSR1KMT2AMAPTDRD4LMNA
SCHEMBL14939602 0.86 NPSR1 (0.46) NPSR1HTR7TP53KMT2AMAPT
SCHEMBL14939481 0.86 NPSR1 (0.46) NPSR1HTR7TP53KMT2AMAPT
SCHEMBL14939659 0.86 NPSR1 (0.42) NPSR1TP53MAPK1KMT2AMAPT
SCHEMBL14938836 0.85 NPSR1 (0.50) NPSR1HTR7TP53MAPK1KMT2A
SCHEMBL14938910 0.84 NPSR1 (0.46) NPSR1HTR7KMT2AMAPTDRD4

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