SCHEMBL2090322

SCHEMBL2090322

COc1ccc([C@@H]2C[C@H]2CC(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.62
KDM1A O60341 3/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL2091037 1.00 HTR2C (0.62) HTR2CKDM1AMAOAMAOBHTR2A
SCHEMBL6227343 0.87 HTR2C (0.61) HTR2CKDM1AMAOAMAOBHTR2A
SCHEMBL6227345 0.87 HTR2C (0.61) HTR2CKDM1AMAOAMAOBHTR2A
SCHEMBL2435013 0.86 HTR2C (0.59) HTR2CKDM1AMAOAMAOBMAPT
SCHEMBL28829967 0.84 HTR2C (0.58) HTR2CKDM1AMAOAMAOBMAPT
SCHEMBL15797925 0.81 HTR2C (0.54) HTR2CKDM1AMAOAMAOBMAPT
SCHEMBL2437089 0.81 HTR2C (0.54) HTR2CKDM1AMAOAMAOBMAPT
SCHEMBL9380414 0.80 ALOX5 (0.58) HTR2CKDM1AMAOAMAOBHTR2A
SCHEMBL2434808 0.80 HTR2C (0.52) HTR2CKDM1AMAOAMAOBMAPT
SCHEMBL9380418 0.80 ALOX5 (0.58) HTR2CKDM1AMAOAMAOBHTR2A

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-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed