SCHEMBL8714859

SCHEMBL8714859

O=C(N[C@H]1C[C@H]2COC[C@@H](C1)N2Cc1ccccc1)c1n[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTR3A P46098 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMYD3 Q9H7B4 1/20 0.52
ITK Q08881 2/20 0.50
USP30 Q70CQ3 1/20 0.49
RIPK1 Q13546 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CHRNA7 P36544 1/20 0.47
MAP4K4 O95819 1/20 0.47
NTRK1 P04629 1/20 0.47
FLT3 P36888 1/20 0.47
WNT1 P04628 1/20 0.47
DYRK1A Q13627 1/20 0.47
OPRK1 P41145 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
SCHEMBL8714863 1.00 NPC1 (0.56) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9413073 0.93 RAB9A (0.56) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9413079 0.93 RAB9A (0.56) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9226450 0.92 RAB9A (0.55) NPC1RAB9AHTR3ASMN1; SMN2SMYD3
SCHEMBL9226452 0.92 RAB9A (0.55) NPC1RAB9AHTR3ASMN1; SMN2SMYD3
SCHEMBL9412887 0.90 RAB9A (0.49) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9413040 0.90 CDK2 (0.52) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9413045 0.90 CDK2 (0.52) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9412888 0.90 RAB9A (0.49) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL9412947 0.90 RAB9A (0.49) NPC1RAB9AHTR3ASMN1; SMN2SMYD3

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-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
EP-0623621-A1 Oxazabicyclo derivatives and their use as 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-09 EP disclosed