SCHEMBL8705221

SCHEMBL8705221

C1CN(CCc2nnn[nH]2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SIGMAR1 Q99720 2/20 0.38
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KEAP1 Q14145 1/20 0.36
PARP1 P09874 2/20 0.35
DAO P14920 1/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4982004 0.82 HPGD (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL6489999 0.81
Zolertine SCHEMBL613371 0.76 DRD2 (0.58) SIGMAR1PARP1MAPTMEN1KMT2A
Zolertine SCHEMBL611670 0.75 DRD2 (0.56) SIGMAR1PARP1MAPTMEN1KMT2A
SCHEMBL18089568 0.72 HRH3 (0.42) SIGMAR1PARP1
SCHEMBL4671779 0.70
SCHEMBL11856358 0.69 KDM4E (0.70) KDM4EALDH1A1SIGMAR1POLBSMN1; SMN2
SCHEMBL4181784 0.69 GAA (0.43) ALDH1A1POLBSMN1; SMN2GAAMAPT
SCHEMBL17002546 0.69 ALOX15 (0.42) ALDH1A1SIGMAR1
SCHEMBL1906096 0.68 SIGMAR1 (0.41) KDM4EALDH1A1SIGMAR1POLBSMN1; SMN2

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
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed