SCHEMBL16937735

SCHEMBL16937735

CCC(CC)NC(CC)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.50
LMNA P02545 3/20 0.50
GALR3 O60755 1/20 0.50
ADRB2 P07550 3/20 0.49
ADRB1 P08588 2/20 0.49
ADRA1A P35348 2/20 0.49
TSHR P16473 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL6406993 1.00 HIF1A (0.50) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL16937785 0.90 HIF1A (0.45) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL6406697 0.90 HIF1A (0.45) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL16937844 0.88 OPRM1 (0.57) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL8284239 0.84 HIF1A (0.54) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL5678825 0.77 AOC3 (0.50)
SCHEMBL5014485 0.75 OPRM1 (0.67) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL2383072 0.75 HIF1A (0.53) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL5177521 0.75 OPRM1 (0.67) HIF1ALMNAGALR3ADRB2ADRB1
SCHEMBL27514771 0.75 SLC22A1 (0.57) HIF1ALMNAGALR3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed