SCHEMBL28036216

SCHEMBL28036216

NCC(CC[O])Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KCNK2 O95069 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
LTA4H P09960 1/20 0.34
HRH1 P35367 1/20 0.33

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
SCHEMBL28036664 0.87 HRH1 (0.41) PPARGPPARATAAR1HTR2ASLC6A4
SCHEMBL28036219 0.84 TAAR1 (0.39) PPARGPPARATAAR1HTR2AMTNR1A
SCHEMBL11515377 0.83 TAAR1 (0.44) TAAR1HTR2ALTA4H
SCHEMBL8349925 0.81 SLC6A4 (0.39) PPARGPPARATAAR1HTR2ASLC6A4
SCHEMBL26135411 0.80 FFAR1 (0.44) PPARGPPARAMTNR1AMTNR1BLTA4H
SCHEMBL28036217 0.77 HRH1 (0.42) PPARGPPARATAAR1HTR2ASLC6A4
SCHEMBL7991601 0.77 LTA4H (0.42) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL20449085 0.76 TAAR1 (0.39) TAAR1HTR2ASLC6A4MTNR1AMTNR1B
SCHEMBL9320752 0.76 TAAR1 (0.39) PPARGPPARATAAR1HTR2AMTNR1A
SCHEMBL5286697 0.76 TAAR1 (0.39) TAAR1HTR2ASLC6A4MTNR1AMTNR1B

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-103476745-B Diamine compound containing sulfonic acid group and method for producing same NITTO DENKO CORP. (JP) 2015-09-30 CN disclosed