SCHEMBL14889368

SCHEMBL14889368

COc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2/C=C/C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
FAAH O00519 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2599331 0.88 SIGMAR1 (0.47) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL1804589 0.88 SIGMAR1 (0.47) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL1804586 0.88 SIGMAR1 (0.47) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL1804581 0.88 SIGMAR1 (0.47) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL1804582 0.88 SIGMAR1 (0.47) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL14889370 0.81 CHRM4 (0.45) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL14889367 0.81 CHRM4 (0.45) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL14889371 0.81 CHRM4 (0.45) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL14889369 0.81 CHRM4 (0.45) CHRM4DRD2DRD3SIGMAR1LMNA
SCHEMBL2597989 0.81 SIGMAR1 (0.52) CHRM4DRD2DRD3SIGMAR1LMNA

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
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed