SCHEMBL7474517

SCHEMBL7474517

O=C(NC(=S)NCC1CCCCC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
ALDH1A1 P00352 7/20 0.64
ALOX12 P18054 5/20 0.64
GLA P06280 2/20 0.64
SMN1; SMN2 Q16637 7/20 0.61
MITF O75030 1/20 0.56
ACHE P22303 1/20 0.54
EPHX1 P07099 1/20 0.54
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL2584410 0.93 ALDH1A1 (0.65) RAB9ANPC1ALDH1A1ALOX12GLA
SCHEMBL23068125 0.86 NPC1 (0.62) RAB9ANPC1ALDH1A1ALOX12GLA
SCHEMBL4522241 0.85 SMN1; SMN2 (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2EPHX1
SCHEMBL25123079 0.85 SMN1; SMN2 (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2EPHX1
SCHEMBL8395225 0.85 SMN1; SMN2 (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2EPHX1
SCHEMBL5123025 0.84 NPC1 (0.60) RAB9ANPC1ALDH1A1ALOX12GLA
SCHEMBL7993458 0.84 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1ALOX12GLA
SCHEMBL8391563 0.83 SMN1; SMN2 (0.73) NPC1SMN1; SMN2EPHX1MEN1KMT2A
Methyl Alcohol SCHEMBL11518093 0.82 SMN1; SMN2 (0.72) SMN1; SMN2EPHX1MEN1KMT2AKDM4E
SCHEMBL9938762 0.81 SMN1; SMN2 (0.66) RAB9AALDH1A1SMN1; SMN2EPHX1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed