SCHEMBL2789554

SCHEMBL2789554

Cc1cc2c(cc1N)OCC1CCCN21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
HSD17B10 Q99714 1/20 0.36
CHRNB4 P30926 5/20 0.33
CHRNA3 P32297 5/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2791769 0.82 AR (0.37) ARCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13681594 0.77 CHRNB4 (0.46) ARCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2789738 0.77 CHRNB4 (0.46) ARCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5122248 0.77 CHRNB4 (0.46) ARCHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2789827 0.75 CHRNB4 (0.45) ARCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2791991 0.75 CASP1 (0.44) ARCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30659603 0.74 HTR2C (0.48) ARPSEN1PSEN2APH1BNCSTN
SCHEMBL24565301 0.72 AR (0.45) ARHSD17B10PSEN1PSEN2APH1B
SCHEMBL2789665 0.72 AR (0.45) ARHSD17B10CHRNB4CHRNA3CHRNB2
SCHEMBL2841569 0.72 CHRNB4 (0.36) ARCHRNB4CHRNA3CHRNB2CHRNA4

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