SCHEMBL7356449

SCHEMBL7356449

CN(c1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCN(c2ccncc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ F10 P00742 11/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ SORT1 Q99523 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
SCHEMBL6107659 0.88 USP30 (0.46) NPC1ALOX15HTTRAB9AF10
SCHEMBL6107816 0.87 NPC1 (0.49) NPC1ALOX15HTTRAB9AF10
SCHEMBL6717550 0.82 F10 (0.45) NPC1ALOX15HTTRAB9AF10
SCHEMBL6108150 0.82 F10 (0.51) NPC1ALOX15HTTRAB9AF10
SCHEMBL6106400 0.81 F10 (0.46) NPC1ALOX15HTTRAB9AF10
SCHEMBL6112192 0.81 NPC1 (0.50) NPC1ALOX15HTTRAB9AF10
SCHEMBL6607911 0.80 NPC1 (0.48) NPC1ALOX15HTTRAB9AF10
SCHEMBL6107563 0.80 F10 (0.59) NPC1ALOX15HTTRAB9AF10
SCHEMBL6109182 0.79 NPC1 (0.51) NPC1ALOX15HTTRAB9AF10
SCHEMBL6108386 0.79 F10 (0.49) F10

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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