SCHEMBL5205938

SCHEMBL5205938

CC(C)(C)C[C@@H](NC(=O)O)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.44
OPRD1 P41143 4/20 0.43
HIF1A Q16665 4/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD1 P21728 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KYNU Q16719 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
SCHEMBL5206391 1.00 OPRK1 (0.44) OPRK1OPRD1HIF1AADRB2ADRB1
SCHEMBL16783311 0.81 KYNU (0.45) HIF1AADRB2ADRB1HTR1AADRA2A
SCHEMBL5502273 0.80 TAAR1 (0.41) OPRK1SLC6A3
SCHEMBL4823405 0.78 ALDH1A1 (0.47) OPRK1HIF1ASLC6A3KYNU
SCHEMBL2849432 0.77 KYNU (0.48) OPRK1OPRD1HIF1AADRB2ADRB1
SCHEMBL23607759 0.76 LIPG (0.38) HIF1A
SCHEMBL4595940 0.75 HIF1A (0.51) OPRK1OPRD1HIF1AADRB2ADRB1
SCHEMBL2808694 0.74 LMNA (0.50) OPRK1HIF1AADRB2ADRB1HTR1A
SCHEMBL11162583 0.74 HIF1A (0.45) OPRK1OPRD1HIF1AADRB2ADRB1
SCHEMBL6176429 0.74 LMNA (0.50) OPRK1HIF1AADRB2ADRB1HTR1A

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-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed