SCHEMBL7366704

SCHEMBL7366704

COC(=O)c1cnccc1C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ F10 P00742 14/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL7359916 0.85 F10 (0.44) F10NPC1RAB9AALOX15HTT
SCHEMBL6415440 0.85 F10 (0.49) F10NPC1RAB9AALOX15HTT
SCHEMBL7360451 0.80 AKT1 (0.47) F10MEN1KMT2A
Hydrochloric Acid SCHEMBL6710608 0.79 NPC1 (0.53) F10NPC1RAB9AALOX15HTT
SCHEMBL6714678 0.79 NPC1 (0.53) F10NPC1RAB9AALOX15HTT
SCHEMBL7365896 0.77 F10 (0.52) F10NPC1RAB9AALOX15HTT
SCHEMBL7358930 0.77 F10 (0.52) F10NPC1RAB9AALOX15HTT
SCHEMBL6713141 0.77 F10 (0.50) F10NPC1RAB9AALOX15HTT
SCHEMBL7357844 0.77 F10 (0.52) F10NPC1RAB9AALOX15HTT
SCHEMBL7357796 0.76 F10 (0.44) F10NPC1RAB9AALOX15HTT

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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