SCHEMBL8717883

SCHEMBL8717883

C=CCN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1n[nH]c3ccccc13)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMYD3 Q9H7B4 1/20 0.52
USP30 Q70CQ3 1/20 0.49
RIPK1 Q13546 1/20 0.48
CHRNA7 P36544 5/20 0.47
HTR3A P46098 4/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
DYRK1A Q13627 2/20 0.45
WNT1 P04628 1/20 0.45
YTHDC1 Q96MU7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
CCNA1 P78396 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL8715146 1.00 NPC1 (0.56) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8714716 0.87 NPC1 (0.57) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8714762 0.87 NPC1 (0.57) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8714813 0.87 NPC1 (0.57) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8714863 0.86 NPC1 (0.56) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8714859 0.86 NPC1 (0.56) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL9079263 0.85 NPC1 (0.55) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8715391 0.84 NPC1 (0.54) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8715388 0.84 NPC1 (0.54) NPC1RAB9ASMYD3USP30RIPK1
SCHEMBL8713942 0.84 NPC1 (0.61) NPC1RAB9ASMYD3USP30RIPK1

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-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed