SCHEMBL7356229

SCHEMBL7356229

COC(=O)c1ccc(NC(C(C)C)C2CCNCC2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.48
▸ KCNH2 Q12809 4/20 0.47
▸ F2 P00734 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KLKB1 P03952 2/20 0.43

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
SCHEMBL7357775 0.94 F10 (0.45) F10KCNH2MEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL7358233 0.90 F10 (0.49) F10KCNH2KLKB1
SCHEMBL7360451 0.86 AKT1 (0.47) F10KCNH2F2MEN1RECQL
SCHEMBL6107051 0.86 F10 (0.47) F10KCNH2MEN1RECQLKMT2A
SCHEMBL6714678 0.85 NPC1 (0.53) F10
SCHEMBL7358439 0.84 F10 (0.51) F10KCNH2KLKB1
SCHEMBL6107299 0.82 F10 (0.51) F10KCNH2F2KLKB1
Hydrochloric Acid SCHEMBL7446146 0.81 F10 (0.49) F10KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL7356962 0.80 F10 (0.47) F10KLKB1
SCHEMBL7381197 0.79 KCNMA1 (0.52) F10MEN1KMT2A

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
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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