SCHEMBL7356466

SCHEMBL7356466

CC(C)(C)OC(=O)C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39

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
SCHEMBL7359372 0.93 F10 (0.49) F10KCNH2
SCHEMBL7372750 0.84 KCNMA1 (0.46) F10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL6712441 0.77 NPC1 (0.46) F10SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7359881 0.76 F10 (0.42) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL7356464 0.76 F10 (0.43) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL6106785 0.76 F10 (0.52) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL6107083 0.75 F10 (0.47) F10SMN1; SMN2NPC1ALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL6108073 0.75 F10 (0.56) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL7356229 0.75 F10 (0.48) F10KCNH2
SCHEMBL3152348 0.75 F10 (0.51) F10KCNH2

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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