SCHEMBL8714813

SCHEMBL8714813

CCCN1C2COCC1CC(NC(=O)c1n[nH]c3ccccc13)C2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
RIPK1 Q13546 1/20 0.53
SMYD3 Q9H7B4 1/20 0.53
USP30 Q70CQ3 1/20 0.50
HPGD P15428 1/20 0.50
HTR3A P46098 4/20 0.48
CHRNA7 P36544 5/20 0.48
YTHDC1 Q96MU7 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DYRK1A Q13627 2/20 0.47
GSK3B P49841 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8714762 1.00 NPC1 (0.57) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8715388 0.95 NPC1 (0.54) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8715391 0.95 NPC1 (0.54) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714541 0.94 NPC1 (0.53) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714545 0.94 NPC1 (0.53) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8717672 0.93 NPC1 (0.52) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714380 0.90 NPC1 (0.53) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8714716 0.90 NPC1 (0.57) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8713942 0.89 NPC1 (0.61) NPC1RAB9ARIPK1SMYD3USP30
SCHEMBL8713946 0.89 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