SCHEMBL14939675

SCHEMBL14939675

Cc1ccc(F)cc1CN1CCN(C2(c3cncc(C(F)(F)F)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMO Q99835 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
ROCK2 O75116 2/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTR7 P34969 1/20 0.33
FABP6 P51161 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL14940185 0.91 NPSR1 (0.46) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL14939978 0.90 NPSR1 (0.47) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14940032 0.89 NPSR1 (0.46) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14939615 0.88 MAPT (0.53) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14939270 0.84 NPSR1 (0.61) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14939058 0.83 NPSR1 (0.43) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14940139 0.83 NPSR1 (0.51) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14938918 0.82 NPSR1 (0.48) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14940152 0.82 NPSR1 (0.48) NPSR1MAPTTP53LMNAALDH1A1
SCHEMBL14939842 0.82 NPSR1 (0.50) NPSR1MAPTTP53LMNAALDH1A1

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 1 patent. 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