SCHEMBL5709227

SCHEMBL5709227

CCCCCc1ccc(C(Br)C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 1/20 0.46
TST Q16762 1/20 0.46

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
SCHEMBL15174540 0.98 HTR2A (0.50) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL5141893 0.98 HTR2A (0.50) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL17241692 0.95 ALDH1A1 (0.44) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL4574183 0.87 THRB (0.41) ALDH1A1KDM4ETHRBCA2KMT2A
SCHEMBL9030475 0.83 HTR2A (0.54) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL17065136 0.82 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL16212189 0.80 MAPK1 (0.45) ALDH1A1LMNATP53EGFRCA2
SCHEMBL27602186 0.79 HTR2A (0.51) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL2093653 0.78 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL6061470 0.78 HTR2A (0.47) HTR2AALDH1A1ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1463735-A1 IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES Aegera Therapeutics Inc. (CA) 2004-10-06 EP disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed