SCHEMBL3512417

SCHEMBL3512417

c1ccc2c(N3CCCCC3)occ2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 6/20 0.41
GAA P10253 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NCF1 P14598 1/20 0.41
ACHE P22303 1/20 0.41
GLA P06280 3/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.41
MAPK1 P28482 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
ELANE P08246 1/20 0.41
PRKDC P78527 1/20 0.40

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
SCHEMBL17924061 0.94 HPGD (0.38) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3511786 0.77 KDM4E (0.38) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL3815877 0.74 APAF1 (0.35) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL10901608 0.70 SMN1; SMN2 (0.47) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4206560 0.69 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10901602 0.68 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL3080094 0.67 NCF1 (0.67) HPGDKDM4EALDH1A1HSD17B10NPC1
SCHEMBL7491687 0.67 NCF1 (0.67) HPGDKDM4EALDH1A1HSD17B10NPC1
SCHEMBL11321507 0.67 ALDH1A1 (0.57) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL5781150 0.66 MAPK1 (0.46) HPGDKDM4EALDH1A1HSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP claimed
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP disclosed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed
US-4600719-A Tetrahydropyridine and piperidine derivatives CIBA GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed