SCHEMBL13748337

SCHEMBL13748337

CC(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)CC[C@@H]1NC(=S)C(=O)Nc1ccc(Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
F2 P00734 1/20 0.39
F5 P12259 1/20 0.39
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
KCNQ3 O43525 4/20 0.34
KCNQ2 O43526 4/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL4955283 0.92 F10 (0.39) F10F2F5KCNQ3KCNQ2
SCHEMBL12101125 0.91 F10 (0.38) F10F2F5FPR1FPR2
SCHEMBL12101123 0.88 F10 (0.37) F10F2F5FPR1FPR2
SCHEMBL4267977 0.88 F10 (0.37) F10F2F5FPR1FPR2
SCHEMBL13394451 0.87 KCNQ3 (0.35) F10F2F5FPR1FPR2
Hydrochloric Acid SCHEMBL4268185 0.86 KCNQ3 (0.34) F10F2F5FPR1FPR2
SCHEMBL1253425 0.78 F10 (0.69) F10F2F5
SCHEMBL14262221 0.78 F10 (0.69) F10F2F5
SCHEMBL1503968 0.78 RAB9A (0.39) F10
SCHEMBL1503972 0.78 RAB9A (0.39) F10

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
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed