SCHEMBL20767211

SCHEMBL20767211

COc1ccc(CCN(Cc2ccc(F)cc2)C(=O)C2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CTSD P07339 2/20 0.46
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
SLC2A4 P14672 2/20 0.44
SLC2A8 Q9NY64 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
SLC2A1 P11166 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 2/20 0.42
CHRM5 P08912 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL20767198 0.92 ALDH1A1 (0.54) LMNAKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL20767243 0.79 ALDH1A1 (0.46) LMNAGAASMN1; SMN2NPSR1HTT
SCHEMBL19554727 0.79 MEN1 (0.68) LMNAKDM4EGAASMN1; SMN2NPSR1
SCHEMBL20766914 0.77 HTR2A (0.54) LMNAKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL339704 0.73 TACR1 (0.55) L3MBTL1HTR2ATACR1
SCHEMBL8669485 0.72 ALDH1A1 (0.61) LMNAKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL20767214 0.72 STS (0.53) LMNASMN1; SMN2HTTALDH1A1SLC2A1
SCHEMBL20766347 0.72 ALDH1A1 (0.52) LMNAKDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL15453328 0.70 PYCR1 (0.55) LMNAKDM4EGAASMN1; SMN2NPSR1
SCHEMBL20774962 0.70 HTR2A (0.60) HTR2ATACR1

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-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO claimed