SCHEMBL7239134

SCHEMBL7239134

O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(OCc5ccccc5)cc4)CC3)cc2)S1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.51
PPARA Q07869 4/20 0.49
ADRB3 P13945 5/20 0.48
LMNA P02545 1/20 0.47
PPARG P37231 4/20 0.46
ADRB2 P07550 3/20 0.46
ADRB1 P08588 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL6074743 0.94 ADRB3 (0.53) FFAR1ADRB3LMNAPPARGADRB2
SCHEMBL6982353 0.94 ADRB3 (0.53) FFAR1ADRB3LMNAPPARGADRB2
SCHEMBL6074251 0.92 ADRB3 (0.49) FFAR1PPARAADRB3PPARGADRB2
SCHEMBL6073771 0.85 PPARG (0.47) ADRB3LMNAPPARGADRB2ADRB1
SCHEMBL7247494 0.85 PPARG (0.47) ADRB3LMNAPPARGADRB2ADRB1
SCHEMBL6075116 0.85 ADRB3 (0.46) ADRB3LMNAPPARGADRB2ADRB1
SCHEMBL6074504 0.83 ADRB3 (0.49) ADRB3ADRB2ADRB1
SCHEMBL6074499 0.83 ADRB3 (0.49) ADRB3ADRB2ADRB1
SCHEMBL6075000 0.81 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL6074996 0.81 ADRB3 (0.60) ADRB3ADRB2ADRB1

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-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed