SCHEMBL15045054

SCHEMBL15045054

COCC1(COC)C[C@@H](NC(=O)c2nc3c(s2)CN(C(C)C)CC3)[C@H](NC(=O)c2cc3cc(Cl)ccc3n2C)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.46
▸ F2 P00734 4/20 0.44

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
SCHEMBL10280037 0.84 F10 (0.64) F10F2
Hydrochloric Acid SCHEMBL1856924 0.84 F10 (0.63) F10F2
SCHEMBL15045009 0.80 F10 (0.58) F10F2
SCHEMBL15045075 0.78 F10 (0.70) F10F2
SCHEMBL1860647 0.77 F10 (0.58) F10F2
SCHEMBL1860649 0.77 F10 (0.58) F10F2
SCHEMBL765234 0.77 F10 (0.66) F10F2
SCHEMBL15045003 0.76 F10 (0.57) F10F2
SCHEMBL15045024 0.76 F10 (0.66) F10F2
SCHEMBL4083160 0.74 F10 (0.56) F10F2

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-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
Send feedback