SCHEMBL10568253

SCHEMBL10568253

COc1cc(C(=O)OC(COc2ccc3c(c2)NC(=O)CC3C)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HTR7 P34969 2/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 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
SCHEMBL10569992 0.86 HTR7 (0.45) MAPTHTR7MAPK1L3MBTL1DRD2
SCHEMBL10575372 0.86 DRD2 (0.53) HTR7DRD2DRD4DRD3
SCHEMBL10572054 0.81 SCN1A (0.49) MAPTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL10569887 0.81 MAPT (0.41) MAPTMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL10571470 0.81 MAPT (0.59) MAPTHTR7MAPK1L3MBTL1KDM4E
SCHEMBL10571472 0.80 DRD2 (0.61) MAPTDRD2DRD4DRD3
SCHEMBL10572593 0.77 HTR7 (0.44) MAPTHTR7MAPK1L3MBTL1DRD2
SCHEMBL10666646 0.77 HTR7 (0.44) MAPTHTR7MAPK1L3MBTL1DRD2
SCHEMBL10570061 0.75 HTR7 (0.44) MAPTHTR7MAPK1L3MBTL1DRD2
SCHEMBL10572146 0.74 DRD2 (0.62) HTR7DRD2DRD4DRD3HTR1A

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
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed