SCHEMBL3906231

SCHEMBL3906231

N#CC1(c2ccc(C(F)C3CCCC3)cc2)CC1.N#CC1(c2ccc(C(O)C3CCCC3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
OPRM1 P35372 1/20 0.34
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34

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
SCHEMBL349481 0.92 DHODH (0.42) DHODHADRA1DADRA1AADRA1BALDH1A1
SCHEMBL350126 0.92 OPRM1 (0.39) ADRA1DADRA1AADRA1BALDH1A1NPC1
SCHEMBL348690 0.68 AKR1C1 (0.45) MEN1KMT2AOPRM1
SCHEMBL507034 0.67 DHODH (0.50) DHODHNPC1RAB9AMEN1KMT2A
SCHEMBL31489727 0.66 HTR2A (0.55) DHODHNPC1RAB9AHRH3
SCHEMBL23588032 0.66 OPRM1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4497428 0.65 CTSK (0.45) OPRM1
SCHEMBL10021103 0.65 DHODH (0.58) DHODHNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14441137 0.65 OPRM1 (0.49) OPRM1
SCHEMBL26326631 0.65 DHODH (0.54) DHODHNPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed