SCHEMBL18970534

SCHEMBL18970534

O=CN1CCC(Cc2ccccc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
SLC6A4 P31645 6/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR3C1 P04150 1/20 0.37
CYP2A13 Q16696 1/20 0.36
HTR1A P08908 4/20 0.36
SLC18A3 Q16572 2/20 0.36
CYP27A1 Q02318 1/20 0.36
CYP24A1 Q07973 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL21763293 0.78 TACR3 (0.55) ALDH1A1TACR3
SCHEMBL15668032 0.77 TACR3 (0.51) ATMTSHRALDH1A1SLC18A3HPGD
SCHEMBL17602837 0.77 TACR3 (0.51) ATMTSHRALDH1A1SLC18A3HPGD
SCHEMBL29942450 0.74 ATM (0.53) ATMSLC6A4TSHRALDH1A1RECQL
SCHEMBL16334148 0.71 ATM (0.50) ATMSLC6A4TSHRALDH1A1RECQL
SCHEMBL16334656 0.71 ATM (0.50) ATMSLC6A4TSHRALDH1A1RECQL
SCHEMBL6388253 0.71 ATM (0.45) ATMSLC6A4TSHRALDH1A1NR3C1
SCHEMBL15684511 0.70 KDM4E (0.51)
SCHEMBL31307968 0.68 SLC6A2 (0.48) SLC6A4
SCHEMBL29138831 0.68 SLC6A2 (0.48) SLC6A4

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
EP-2925737-B1 TRICYCLIC COMPOUNDS FOR USE IN THE TREATMENT AND/OR CONTROL OF OBESITY ZAFGEN INC (US) 2017-06-14 EP disclosed