SCHEMBL9404305

SCHEMBL9404305

CCCCc1cc(C2=C(Cl)CC3CCC2N3C(=O)OCC)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.34
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
TSHR P16473 2/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM1 P11229 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9404523 0.88 RAB9A (0.35) RAB9ANPC1ALDH1A1CHRM1ATM
SCHEMBL9404504 0.87 CPT1A (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1CHRM1
SCHEMBL9404383 0.81 NPC1 (0.43) PPARARAB9ANPC1SMN1; SMN2S1PR1
Oxalic Acid SCHEMBL10584937 0.79 NPC1 (0.44) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL7817015 0.72 CHRM1 (0.31) CHRM1
Oxalic Acid SCHEMBL9404570 0.69 PPARA (0.38) PPARARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9451949 0.67 CHRNA1 (0.34) PPARARAB9ANPC1SMN1; SMN2DRD2
SCHEMBL7826658 0.67 CHRM1 (0.35) NPSR1CHRM1
SCHEMBL11360559 0.66 CHRM1 (0.36) ALDH1A1CHRM1MEN1KMT2A
SCHEMBL9404358 0.65 PPARA (0.37) PPARARAB9ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316718-B1 AZACYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-15 EP claimed
US-5356912-A 3-(5-isoxazolyl)-1-methyl-1,2,3,6-tetrahydropyridine useful for treating Alzheimer's disease NOVO NORDISK A/S (DK) 1994-10-18 US disclosed
US-5262427-A Cognition activators for Alzheimer*s disease NOVO NORDISK A/S (DK) 1993-11-16 US disclosed
EP-0316718-B1 AZACYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-15 EP disclosed
EP-0316718-A2 Azacyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-24 EP disclosed