SCHEMBL8714541

SCHEMBL8714541

CCCCCN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1n[nH]c3ccccc13)C2

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
RIPK1 Q13546 1/20 0.50
SMYD3 Q9H7B4 1/20 0.49
USP30 Q70CQ3 1/20 0.47
HTR3A P46098 3/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
HTR2A P28223 3/20 0.46
CHRNA7 P36544 3/20 0.45
HTR4 Q13639 1/20 0.45
YTHDC1 Q96MU7 1/20 0.45
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8714545 1.00 NPC1 (0.53) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8717672 0.99 NPC1 (0.52) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8715391 0.97 NPC1 (0.54) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8715388 0.97 NPC1 (0.54) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714762 0.94 NPC1 (0.57) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714813 0.94 NPC1 (0.57) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714380 0.86 NPC1 (0.53) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714716 0.86 NPC1 (0.57) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8713942 0.86 NPC1 (0.61) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8713946 0.86 NPC1 (0.61) NPC1RAB9ARIPK1SMYD3USP30

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