SCHEMBL14939341

SCHEMBL14939341

O=C1c2ccccc2C(=O)C1(c1cccc(Br)n1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.65
SIGMAR1 Q99720 4/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TRPC5 Q9UL62 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
SCHEMBL14939426 0.87 NPSR1 (0.67) NPSR1SIGMAR1MMP2MMP9DRD2
SCHEMBL14939217 0.86 NPSR1 (0.48) NPSR1SIGMAR1MAPTKMT2AMEN1
SCHEMBL14939645 0.86 SIGMAR1 (0.53) NPSR1SIGMAR1DRD2HTR2BMAPT
SCHEMBL14939259 0.86 NPSR1 (0.65) NPSR1SIGMAR1MMP2MMP9DRD2
SCHEMBL14939657 0.85 NPSR1 (0.46) NPSR1DRD2MAPTKMT2ALMNA
SCHEMBL14940304 0.84 NPSR1 (0.46) NPSR1MAPTTDP1KMT2AMEN1
SCHEMBL14940461 0.84 NPSR1 (0.62) NPSR1SIGMAR1MMP2MMP9DRD2
SCHEMBL14940151 0.82 MEN1 (0.44) NPSR1DRD2HTR2BL3MBTL1KMT2A
SCHEMBL14939412 0.81 NPSR1 (0.70) NPSR1SIGMAR1MMP2MMP9DRD2
SCHEMBL14939776 0.81 NPSR1 (0.59) NPSR1SIGMAR1MMP2MMP9DRD2

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