SCHEMBL8433286

SCHEMBL8433286

Cc1ccc(S(=O)(=O)OCC2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDK1 Q15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DRD4 P21917 2/20 0.35
GAA P10253 1/20 0.34
VDR P11473 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL9786828 1.00 MEN1 (0.37) MEN1KMT2ACYP2D6ALDH1A1CYP3A4
SCHEMBL9786925 1.00 MEN1 (0.37) MEN1KMT2ACYP2D6ALDH1A1CYP3A4
SCHEMBL1552824 0.82 DRD4 (0.38) HRH3PDK1DRD4
SCHEMBL1552412 0.82 DRD4 (0.38) HRH3PDK1DRD4
SCHEMBL9668740 0.82 ACLY (0.37) MEN1KMT2AHRH3PDK1DRD4
SCHEMBL19296946 0.82 CYP3A4 (0.36) MEN1KMT2ACYP2D6ALDH1A1CYP3A4
SCHEMBL1698268 0.79 DRD4 (0.56) CYP2D6CYP3A4CYP2C9CYP1A2DRD4
SCHEMBL9786883 0.79 DRD4 (0.56) CYP2D6CYP3A4CYP2C9CYP1A2DRD4
SCHEMBL9581932 0.79 DRD4 (0.56) CYP2D6CYP3A4CYP2C9CYP1A2DRD4
SCHEMBL13220033 0.79 CYP2D6 (0.44) KMT2ACYP2D6ALDH1A1CYP3A4TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684237-B1 MORPHOLINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1999-12-08 EP disclosed
US-5521180-A Morpholine derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0684237-A1 MORPHOLINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-11-29 EP disclosed
EP-0495750-A2 Heterocyclic hydroxylamine CIBA-GEIGY AG (CH) 1992-07-22 EP disclosed
US-5026701-A Antiischaemic agent, antidepressants, for treating cerebral aging ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4109088-A ANTIDEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1978-08-22 US disclosed