SCHEMBL7475623

SCHEMBL7475623

O=C(O)NC[C@H]1CC[C@H](NC(=S)NC(=O)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
HTT P42858 1/20 0.53
ALDH1A1 P00352 7/20 0.51
ALOX12 P18054 4/20 0.51
GLA P06280 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
ATM Q13315 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL4290054 1.00 NPC1 (0.66) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL5123025 0.91 NPC1 (0.60) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL2584410 0.86 ALDH1A1 (0.65) NPC1RAB9AALDH1A1ALOX12GLA
SCHEMBL5161443 0.86 NPC1 (0.87) NPC1RAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL5382549 0.84 ACACB (0.56) NPC1RAB9AHTT
SCHEMBL1593472 0.84 ACACB (0.56) NPC1RAB9AHTT
SCHEMBL5126108 0.83 NPC1 (0.54) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL5126653 0.81 SMN1; SMN2 (0.53) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL1594519 0.81 ALDH1A1 (0.56) NPC1RAB9AALDH1A1ALOX12GLA
SCHEMBL7474517 0.80 RAB9A (0.65) NPC1RAB9AHTTALDH1A1ALOX12

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