SCHEMBL7257643

SCHEMBL7257643

O=C1CN(S(=O)(=O)c2ccc(Br)cc2)CC2OC3(CCN(c4ccncc4)CC3)CN12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.46
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 1/20 0.43
F10 P00742 3/20 0.41
FASN P49327 3/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 3/20 0.39
CHRM1 P11229 3/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7258000 0.92 F10 (0.48) LSSCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7261952 0.91 CYP3A4 (0.43) LSSCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7257384 0.91 CYP3A4 (0.54) LSSCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7257416 0.88 FASN (0.44) LSSCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7257425 0.88 LSS (0.49) LSSCYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6078696 0.86 F10 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7261674 0.86 CYP3A4 (0.46) LSSCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7257485 0.86 HSD11B1 (0.41) GAA
SCHEMBL6079702 0.85 F10 (0.58) SMN1; SMN2F10FASNCHRM1
SCHEMBL7257788 0.84 CYP2C19 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed