SCHEMBL14939138

SCHEMBL14939138

Cc1cccc(C2(N3CCN(Cc4cc(F)ccc4C)CC3)C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR7 P34969 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 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
SCHEMBL14940221 0.94 NPSR1 (0.44) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939262 0.94 NPSR1 (0.53) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939105 0.92 NPSR1 (0.51) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939842 0.92 NPSR1 (0.50) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939270 0.92 NPSR1 (0.61) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939180 0.91 NPSR1 (0.50) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939168 0.90 MAPT (0.53) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939780 0.90 NPSR1 (0.44) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939857 0.90 NPSR1 (0.48) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14939718 0.89 TP53 (0.47) NPSR1MAPTLMNATP53ALDH1A1

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