SCHEMBL14938836

SCHEMBL14938836

CCc1ccccc1CN1CCN(C2(c3ccnc(C)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
ADAM17 P78536 3/20 0.36
KMT2A Q03164 1/20 0.35
KCNQ2 O43526 1/20 0.35
HTR7 P34969 1/20 0.35
MAPK1 P28482 1/20 0.32

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
SCHEMBL14939936 0.92 NPSR1 (0.50) NPSR1MAPTTP53LMNAKMT2A
SCHEMBL14939059 0.90 NPSR1 (0.51) NPSR1MAPTTP53KMT2A
SCHEMBL14938722 0.88 NPSR1 (0.53) NPSR1MAPTTP53LMNAADAM17
SCHEMBL14939733 0.88 NPSR1 (0.47) NPSR1MAPTKMT2AHTR7MAPK1
SCHEMBL14939729 0.87 NPSR1 (0.68) NPSR1MAPTLMNAADAM17
SCHEMBL14939356 0.85 NPSR1 (0.58) NPSR1MAPTTP53LMNAKMT2A
SCHEMBL14939442 0.85 NPSR1 (0.46) NPSR1MAPTTP53LMNAADAM17
SCHEMBL14939710 0.85 NPSR1 (0.46) NPSR1MAPTTP53LMNAKMT2A
SCHEMBL14940061 0.84 NPSR1 (0.57) NPSR1MAPTTP53LMNAKMT2A
SCHEMBL14939481 0.84 NPSR1 (0.46) NPSR1MAPTTP53LMNAADAM17

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