SCHEMBL4062105

SCHEMBL4062105

O=C(NC1CCNCC1)N1CC(c2cc(Cl)ccc2F)=CC1c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.59
KCNH2 Q12809 13/20 0.59
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL4067160 0.88 KIF11 (0.54) KIF11KCNH2
SCHEMBL4070705 0.84 KIF11 (0.44) KIF11KCNH2CHRM1CHRM3CHRM2
SCHEMBL4058859 0.82 KIF11 (0.87) KIF11KCNH2
SCHEMBL4070711 0.77 KCNH2 (0.42) KIF11KCNH2CHRM1CHRM3CHRM2
SCHEMBL4057840 0.77 KIF11 (0.84) KIF11KCNH2
SCHEMBL4067640 0.77 KIF11 (0.84) KIF11KCNH2
SCHEMBL4067473 0.76 KIF11 (0.70) KIF11KCNH2
SCHEMBL4064573 0.76 KIF11 (0.70) KIF11KCNH2
SCHEMBL4066227 0.75 KIF11 (0.84) KIF11KCNH2
SCHEMBL4066223 0.75 KIF11 (0.84) KIF11KCNH2

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-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP claimed