SCHEMBL14938779

SCHEMBL14938779

O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(Cc2cc(F)ccc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.65
MAPT P10636 5/20 0.47
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 3/20 0.40
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL14939013 0.89 NPSR1 (0.64) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14939270 0.87 NPSR1 (0.61) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14939418 0.87 NPSR1 (0.61) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14940377 0.86 NPSR1 (0.74) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14939967 0.86 NPSR1 (0.57) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14939276 0.85 NPSR1 (0.59) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14940230 0.84 NPSR1 (0.55) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14939954 0.83 NPSR1 (0.82) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL14938958 0.83 NPSR1 (0.56) NPSR1MAPTMEN1KMT2ASIGMAR1
SCHEMBL14939278 0.83 NPSR1 (0.56) NPSR1MAPTLMNAMEN1KMT2A

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