SCHEMBL3249967

SCHEMBL3249967

COc1ccc2nccc(C(O)CC3CCCCC3)c2n1.O=C(O)Nc1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
SLC2A1 P11166 3/20 0.41

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
SCHEMBL3251583 0.90 SLC2A1 (0.39) SLC2A1
SCHEMBL1147455 0.90 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL3252103 0.86 KCNH2 (0.38) KCNH2
SCHEMBL3253063 0.82 ALDH1A1 (0.37)
SCHEMBL3256694 0.80 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL1147955 0.80 TRPV1 (0.43) KCNH2
SCHEMBL3244059 0.80 KCNH2 (0.40) KCNH2
SCHEMBL3251607 0.79 TRPV1 (0.36)
SCHEMBL5267183 0.77 SLC2A1 (0.45) KCNH2SLC2A1
SCHEMBL3251532 0.76 MAOA (0.46) KCNH2

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-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP claimed