SCHEMBL7257489

SCHEMBL7257489

COCC12CN(S(=O)(=O)c3ccc(Br)cc3)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 6/20 0.42
CYP2D6 P10635 4/20 0.41
USP2 O75604 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CD4 P01730 2/20 0.38
SORT1 Q99523 1/20 0.38
NPC1 O15118 1/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7258342 0.90 TSHR (0.39) LMNAHTTTSHRCYP2D6USP2
SCHEMBL7258008 0.89 TSHR (0.44) LMNAHTTTSHRCYP2D6USP2
SCHEMBL6078359 0.86 ALDH1A1 (0.42) LMNATSHRCYP2D6USP2CYP3A4
SCHEMBL7262868 0.83 MMP2 (0.34) LMNAHTTTSHR
SCHEMBL4516479 0.82 ALDH1A1 (0.39) LMNAHTTTSHRCYP2D6USP2
SCHEMBL7261956 0.82 F10 (0.42) LMNAHTTTSHRCYP2D6CYP3A4
SCHEMBL7262067 0.80 LSS (0.36) LMNAHTTTSHR
SCHEMBL4528724 0.79 F10 (0.44)
SCHEMBL6079366 0.79 F10 (0.49) LMNATSHRCYP2D6USP2CYP3A4
SCHEMBL4520059 0.79 CYP2D6 (0.45) TSHRCYP2D6USP2CYP3A4CYP1A2

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