SCHEMBL14939199

SCHEMBL14939199

CCc1ccccc1CN1CCN(C2(c3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 2/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.42
HTR7 P34969 2/20 0.40
KMT2A Q03164 3/20 0.39
HTR1A P08908 1/20 0.37
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL14939296 0.92 NPSR1 (0.50) NPSR1TP53MAPTLMNAHTR7
SCHEMBL14940061 0.92 NPSR1 (0.57) NPSR1TP53MAPTLMNAHTR7
SCHEMBL14939539 0.91 NPSR1 (0.55) NPSR1TP53MAPTLMNAKMT2A
SCHEMBL14939445 0.90 TP53 (0.51) NPSR1TP53MAPTLMNAHTR7
SCHEMBL14938747 0.89 NPSR1 (0.44) NPSR1TP53MAPTLMNAHTR7
SCHEMBL14938722 0.88 NPSR1 (0.53) NPSR1TP53MAPTLMNAHTR7
SCHEMBL14940268 0.88 NPSR1 (0.53) NPSR1TP53MAPTLMNAALDH1A1
SCHEMBL14939071 0.88 NPSR1 (0.56) NPSR1TP53MAPTKMT2AMEN1
SCHEMBL14939242 0.88 NPSR1 (0.50) NPSR1TP53MAPTLMNAHTR7
SCHEMBL14939244 0.88 NPSR1 (0.71) NPSR1TP53MAPTLMNAHTR7

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