SCHEMBL1148032

SCHEMBL1148032

COc1ccc2nccc([C@@H](O)CN3CCC(C(=O)Nc4ccc5c(c4)NC(=O)CS5)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.51
TRPV1 Q8NER1 2/20 0.48
KCNH2 Q12809 3/20 0.47

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
SCHEMBL1147944 1.00 SLC2A1 (0.51) SLC2A1TRPV1KCNH2
SCHEMBL1148106 1.00 SLC2A1 (0.51) SLC2A1TRPV1KCNH2
SCHEMBL5257022 0.84 KCNH2 (0.65) SLC2A1KCNH2
SCHEMBL5255571 0.84 KCNH2 (0.65) SLC2A1KCNH2
SCHEMBL1147886 0.83 SLC2A1 (0.55) SLC2A1KCNH2
SCHEMBL14519826 0.83 SLC2A1 (0.52) SLC2A1KCNH2
SCHEMBL1147672 0.82 TRPV1 (0.48) TRPV1KCNH2
SCHEMBL5252947 0.81 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL5252942 0.81 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL1148100 0.80 KCNH2 (0.68) SLC2A1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US claimed
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US disclosed