SCHEMBL15045013

SCHEMBL15045013

Cn1c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2nc3c(s2)CN(C(C)(C)C)C3)cc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52
F2 P00734 4/20 0.52

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
SCHEMBL15045075 0.84 F10 (0.70) F10F2
SCHEMBL763999 0.82 F10 (0.74) F10F2
Hydrochloric Acid SCHEMBL4090744 0.81 F10 (0.73) F10F2
SCHEMBL15045009 0.80 F10 (0.58) F10F2
SCHEMBL15045024 0.76 F10 (0.66) F10F2
SCHEMBL765442 0.75 F10 (0.81) F10F2
SCHEMBL14817845 0.75 RXFP1 (0.56) F10
SCHEMBL15045001 0.75 F10 (0.61) F10F2
Hydrochloric Acid SCHEMBL4089830 0.74 F10 (0.80) F10F2
SCHEMBL15045016 0.74 F10 (0.73) 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