SCHEMBL10569887

SCHEMBL10569887

COc1cc(C(=O)OC(COc2cccc3c2NC(=O)CC3c2ccccc2)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ABCB1 P08183 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10568253 0.81 MAPT (0.42) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL10572054 0.80 SCN1A (0.49) MAPTSMN1; SMN2TSHRTP53ABCB1
SCHEMBL10575372 0.75 DRD2 (0.53)
SCHEMBL10572593 0.74 HTR7 (0.44) MAPTSMN1; SMN2MAPK1ALDH1A1HSD17B10
SCHEMBL10666646 0.71 HTR7 (0.44) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL10571472 0.70 DRD2 (0.61) MAPT
SCHEMBL10570061 0.69 HTR7 (0.44) MAPTMAPK1
SCHEMBL11483932 0.67 PDE4A (0.55)
SCHEMBL10569992 0.66 HTR7 (0.45) MAPTMAPK1ALDH1A1HSD17B10TP53
SCHEMBL11216643 0.65 ALOX15 (0.46) MAPTTSHRALDH1A1CYP3A4CYP2C19

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