SCHEMBL7545282

SCHEMBL7545282

CCCCOC(=O)NCC(O)OCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ GAA P10253 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CTSK P43235 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL7548169 0.86 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL7552785 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL8507123 0.80 HPGD (0.67) SMN1; SMN2RAB9AHPGDHSD17B10CTSK
SCHEMBL30890579 0.79 HPGD (0.65) SMN1; SMN2RAB9AHPGDHSD17B10GAA
SCHEMBL6440706 0.78 HPGD (0.54) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL23585702 0.75 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL7277280 0.73 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL9691525 0.72 HPGD (0.56) SMN1; SMN2NPC1RAB9AHPGDHSD17B10
SCHEMBL9695155 0.72 HPGD (0.56) SMN1; SMN2NPC1RAB9AHPGDHSD17B10
SCHEMBL9695556 0.72 HPGD (0.56) SMN1; SMN2NPC1RAB9AHPGDHSD17B10

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-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 — — EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 — — WO disclosed
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