SCHEMBL28858705

SCHEMBL28858705

CC(Cl)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.44
HTR2A P28223 6/20 0.44
KCNH2 Q12809 5/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMO O15229 1/20 0.40
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL9255317 0.84 ALDH1A1 (0.47) SLC6A4HTR2AKCNH2PPARGPPARA
SCHEMBL18129370 0.81 SLC6A4 (0.43) SLC6A4HTR2AKCNH2PPARGPPARA
SCHEMBL15707806 0.81 SLC6A4 (0.43) SLC6A4HTR2AKCNH2PPARGPPARA
SCHEMBL10359812 0.81 PPARG (0.46) SLC6A4HTR2AKCNH2PPARGPPARA
SCHEMBL11229520 0.78 ALDH1A3 (0.41) ALDH1A1
SCHEMBL24272296 0.78 PPARG (0.44) SLC6A4HTR2AKCNH2PPARGPPARA
SCHEMBL1145316 0.77 SLC6A4 (0.54) SLC6A4HTR2AKCNH2KDM4EHSP90AA1
SCHEMBL29768449 0.77 SLC6A4 (0.54) SLC6A4HTR2AKCNH2KDM4EHSP90AA1
SCHEMBL9819014 0.76 SLC6A4 (0.43) SLC6A4HTR2AKCNH2PPARGPPARA
SCHEMBL119603 0.76 TDP1 (0.61) HTR2APPARGPPARAKDM4EALDH1A1

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
CN-106278914-B A kind of synthesis technique of increase production of amines 四川福思达生物技术开发有限责任公司 2018-04-13 CN disclosed