SCHEMBL3708006

SCHEMBL3708006

Cc1ccc(C(N)C23CCC(CC2)N3C(=O)O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.39
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 7/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.32
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 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
SCHEMBL2126024 0.83 SLC6A9 (0.35) SLC6A9ALOX5MAPTKDM4ETDP1
SCHEMBL3714198 0.75 SLC6A9 (0.68) SLC6A9
SCHEMBL14894704 0.70 ALOX5 (0.38) SLC6A9ALOX5ALDH1A1MAPTKDM4E
SCHEMBL23245281 0.67 USP14 (0.32) SLC6A9TSHR
SCHEMBL23245282 0.67 USP14 (0.32) SLC6A9TSHR
SCHEMBL13406801 0.66 TDP1 (0.36) ALOX5ALDH1A1HPGDTDP1POLB
SCHEMBL12086694 0.65 TDP1 (0.39) ALOX5ALDH1A1HPGDTDP1POLB
SCHEMBL3712601 0.63 SLC6A9 (0.74) SLC6A9
SCHEMBL3710583 0.63 ATM (0.40) SLC6A9KDM4EL3MBTL1KMT2ATSHR
SCHEMBL14895088 0.61 CXCR1 (0.39) ALOX5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391628-A1 2-AZA-BICYCLOÝ2.2.1¨HEPTANE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2011-12-07 EP disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed