SCHEMBL14939636

SCHEMBL14939636

Cc1ccc(CN2CCN(C3(c4cccc(C(F)(F)F)c4)C(=O)c4ccccc4C3=O)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46
CCR2 P41597 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TNF P01375 1/20 0.42
HTR7 P34969 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
GRIN2B Q13224 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL14939190 0.91 MAPT (0.57) MAPTNPSR1CCR2LMNATNF
SCHEMBL14939110 0.89 NPSR1 (0.55) MAPTNPSR1LMNATP53HTR7
SCHEMBL14940165 0.87 NPSR1 (0.51) MAPTNPSR1LMNATP53DRD2
SCHEMBL14939106 0.87 NPSR1 (0.64) MAPTNPSR1LMNATP53DRD2
SCHEMBL14939615 0.86 MAPT (0.53) MAPTNPSR1LMNATP53TNF
SCHEMBL14940141 0.85 NPSR1 (0.54) MAPTNPSR1LMNATP53DRD2
SCHEMBL14939396 0.85 NPSR1 (0.51) MAPTNPSR1LMNATP53DRD2
SCHEMBL14940108 0.84 MAPT (0.52) MAPTNPSR1POLBLMNATNF
SCHEMBL14940268 0.84 NPSR1 (0.53) MAPTNPSR1LMNATP53DRD2
SCHEMBL14940323 0.83 TP53 (0.54) MAPTNPSR1LMNATP53HTR7

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