SCHEMBL4564508

SCHEMBL4564508

NCC12CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC(=O)N1CC1(CCN(c3ccncc3)CC1)N2

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.85
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
SCHEMBL6078570 0.92 F10 (1.00) F10
SCHEMBL6078815 0.90 F10 (0.82) F10
SCHEMBL4564514 0.83 F10 (0.60) F10CYP1A2CYP3A4CYP2D6
SCHEMBL6079507 0.82 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6079429 0.81 F10 (0.61) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6079100 0.77 F10 (0.63) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6079307 0.77 F10 (0.62) F10
SCHEMBL6079421 0.76 F10 (0.73) F10
SCHEMBL6078381 0.76 F10 (0.62) F10
SCHEMBL6079425 0.76 F10 (0.63) F10CYP1A2CYP3A4CYP2D6CYP2C9

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-2020411-A1 SPIRO TETRACYCLIC COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-02-04 EP disclosed