SCHEMBL14939591

SCHEMBL14939591

COc1cccc(C2(N3CCN(Cc4ccc(C)cc4)CC3)Cc3ccccc3C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALDH3A1 P30838 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14940301 0.93 SIGMAR1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939907 0.91 SIGMAR1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939908 0.90 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939036 0.89 NPSR1 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14938846 0.86 ALDH1A1 (0.41) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939377 0.86 SIGMAR1 (0.54) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939844 0.86 NPSR1 (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14940465 0.85 SIGMAR1 (0.50) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939017 0.85 HTR7 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939761 0.84 NPSR1 (0.61) SIGMAR1DRD2HTR2AHTR2CHTR2B

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