SCHEMBL13655876

SCHEMBL13655876

CNCC(=O)N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.68
KCNH2 Q12809 14/20 0.68

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
SCHEMBL13655857 0.91 KIF11 (0.66) KIF11KCNH2
SCHEMBL4061192 0.90 KIF11 (0.71) KIF11KCNH2
SCHEMBL13655853 0.89 KIF11 (0.72) KIF11KCNH2
SCHEMBL4066920 0.89 KIF11 (0.70) KIF11KCNH2
SCHEMBL4061894 0.89 KIF11 (0.65) KIF11KCNH2
SCHEMBL13655893 0.89 KIF11 (0.67) KIF11KCNH2
SCHEMBL4060971 0.89 KIF11 (0.67) KIF11KCNH2
SCHEMBL4061924 0.88 KIF11 (0.74) KIF11KCNH2
SCHEMBL6205971 0.88 KIF11 (0.76) KIF11KCNH2
SCHEMBL4063950 0.88 KIF11 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP disclosed
US-7348440-B2 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348440-B2 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. (US) 2008-03-25 US disclosed