SCHEMBL2790790

SCHEMBL2790790

Cc1ccc(N)c(Cl)c1O.Nc1ccc2c(c1)OCC1CCCCN21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
ALDH1A1 P00352 4/20 0.35
AR P10275 2/20 0.35
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 1/20 0.33
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
AVPR2 P30518 1/20 0.31

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
SCHEMBL2841569 0.97 CHRNB4 (0.36) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL2789665 0.82 AR (0.45) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL2791991 0.82 CASP1 (0.44) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL2791769 0.81 AR (0.37) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL2792598 0.80 GFER (0.39) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL2789738 0.79 CHRNB4 (0.46) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL5122248 0.79 CHRNB4 (0.46) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL13681594 0.79 CHRNB4 (0.46) GFERALDH1A1ARCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2789827 0.78 CHRNB4 (0.45) GFERALDH1A1ARCHRNB4CHRNA3
SCHEMBL2792586 0.77 CHRNB4 (0.40) GFERARCHRNB4CHRNA3CHRNB2

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
WO-2010034626-A2 NOVEL DEVELOPER COMPONENTS HENKEL AG & CO. KGAA (DE) 2010-04-01 WO disclosed