SCHEMBL1148044

SCHEMBL1148044

COc1ccc2nccc(CC[C@H]3CC[C@H](C(=O)Nc4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
KCNH2 Q12809 5/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3252103 0.89 KCNH2 (0.38) KCNH2ALDH1A1LMNA
SCHEMBL1147704 0.88 TRPV1 (0.43) TRPV1KCNH2
SCHEMBL1147907 0.88 TRPV1 (0.43) TRPV1KCNH2
SCHEMBL1147455 0.86 KCNH2 (0.47) TRPV1KCNH2
SCHEMBL1148023 0.84 TRPV1 (0.45) TRPV1KCNH2ALDH1A1LMNA
SCHEMBL1147955 0.83 TRPV1 (0.43) TRPV1KCNH2
SCHEMBL1147957 0.81 TRPV1 (0.41) TRPV1KCNH2ALDH1A1LMNA
SCHEMBL1147478 0.80 KCNH2 (0.54) KCNH2
SCHEMBL3244059 0.79 KCNH2 (0.40) KCNH2ALDH1A1LMNA
SCHEMBL1147672 0.78 TRPV1 (0.48) TRPV1KCNH2ALDH1A1LMNA

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 4 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
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP disclosed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 WO disclosed