SCHEMBL10666646

SCHEMBL10666646

COc1cc(C(=O)OC(COc2ccc3c(c2)N(C)C(=O)CC3)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10570061 0.90 HTR7 (0.44) HTR7MAPTDRD2DRD4DRD3
SCHEMBL10572344 0.87 HTR7 (0.42) HTR7MAPTDRD2DRD4DRD3
SCHEMBL10575372 0.85 DRD2 (0.53) HTR7DRD2DRD4DRD3
SCHEMBL10571746 0.80 HTR7 (0.66) HTR7MAPTLMNAMAPK1L3MBTL1
SCHEMBL10568883 0.79 HTR7 (0.51) HTR7MAPTDRD2DRD4DRD3
SCHEMBL10571472 0.79 DRD2 (0.61) MAPTDRD2DRD4DRD3LMNA
SCHEMBL10569921 0.78 HTR7 (0.47) HTR7MAPTDRD2DRD4DRD3
SCHEMBL10568253 0.77 MAPT (0.42) HTR7SMN1; SMN2MAPTDRD2DRD4
SCHEMBL10568544 0.76 HTR7 (0.49) HTR7MAPTDRD2DRD4DRD3
SCHEMBL10572054 0.75 SCN1A (0.49) SMN1; SMN2MAPTDRD2DRD4DRD3

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
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed