SCHEMBL9079263

SCHEMBL9079263

CC(C)CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1n[nH]c3ccccc13)C2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMYD3 Q9H7B4 1/20 0.51
HTR3A P46098 5/20 0.49
RIPK1 Q13546 1/20 0.49
USP30 Q70CQ3 1/20 0.48
CHRNA7 P36544 4/20 0.47
YTHDC1 Q96MU7 1/20 0.46
DYRK1A Q13627 4/20 0.46
WNT1 P04628 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 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
SCHEMBL8714380 0.90 NPC1 (0.53) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8714762 0.88 NPC1 (0.57) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8714813 0.88 NPC1 (0.57) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8714716 0.88 NPC1 (0.57) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8713946 0.87 NPC1 (0.61) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8713942 0.87 NPC1 (0.61) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8719122 0.87 NPC1 (0.58) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8715391 0.85 NPC1 (0.54) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8715388 0.85 NPC1 (0.54) NPC1RAB9ASMYD3HTR3ARIPK1
SCHEMBL8720534 0.85 NPC1 (0.54) NPC1RAB9ASMYD3HTR3ARIPK1

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

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