SCHEMBL3244059

SCHEMBL3244059

COc1ccc2nccc(CCC3(O)CCCCC3)c2n1.O=C(O)Nc1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1147704 0.88 TRPV1 (0.43) KCNH2
SCHEMBL1147907 0.88 TRPV1 (0.43) KCNH2
SCHEMBL3252103 0.87 KCNH2 (0.38) KCNH2ALDH1A1LMNA
SCHEMBL2255565 0.87 KCNH2 (0.42) KCNH2ALDH1A1LMNAHPGDMEN1
SCHEMBL3252106 0.86 KCNH2 (0.46) KCNH2ALDH1A1LMNANPC1RAB9A
SCHEMBL3250867 0.83 KCNH2 (0.43) KCNH2
SCHEMBL2255567 0.83 KCNH2 (0.42) KCNH2
SCHEMBL3252737 0.82 KCNH2 (0.39) KCNH2ALDH1A1
SCHEMBL3251533 0.81 KCNH2 (0.49) KCNH2ALDH1A1NPC1RAB9AMEN1
SCHEMBL5748231 0.81 KCNH2 (0.43) 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