SCHEMBL14939899

SCHEMBL14939899

CCc1ccccc1CN1CCN(C2(c3cncc(C)n3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.37
FABP6 P51161 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
ADAM17 P78536 1/20 0.35
HTR7 P34969 3/20 0.33
TRPC5 Q9UL62 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL14939324 0.91 NPSR1 (0.48) NPSR1LMNAFABP6KMT2ATRPC5
SCHEMBL14939940 0.87 NPSR1 (0.47) NPSR1LMNAKMT2AMAPTTP53
SCHEMBL14940011 0.87 NPSR1 (0.66) NPSR1LMNAMAPTADAM17TSHR
SCHEMBL14939602 0.85 NPSR1 (0.46) NPSR1LMNAKMT2AMAPTTP53
SCHEMBL14938722 0.84 NPSR1 (0.53) NPSR1LMNAKMT2AMAPTTP53
SCHEMBL14939242 0.84 NPSR1 (0.50) NPSR1LMNAFABP6KMT2AMAPT
SCHEMBL14939058 0.84 NPSR1 (0.43) NPSR1LMNAFABP6KMT2AMAPT
SCHEMBL14938910 0.83 NPSR1 (0.46) NPSR1LMNAFABP6KMT2AMAPT
SCHEMBL14939765 0.83 NPSR1 (0.46) NPSR1ADAM17
SCHEMBL14940111 0.83 NPSR1 (0.51) NPSR1LMNAFABP6KMT2AMAPT

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