SCHEMBL3973615

SCHEMBL3973615

Nc1cccc(OCCC2CCCN2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
TSHR P16473 1/20 0.46
LTA4H P09960 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
PRKCZ Q05513 1/20 0.42
CHEK2 O96017 1/20 0.42
MAOB P27338 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
SCHEMBL14578215 0.84 CHRNB4 (0.52) CHRNB4CHRNA3LTA4HCHEK2
SCHEMBL11455982 0.84 CHRNB4 (0.50) CHRNB4CHRNA3LTA4HCHEK2
SCHEMBL11450540 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11455927 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11455784 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11466396 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11458259 0.83 CHRNB4 (0.75) CHRNB4CHRNA3
SCHEMBL11458473 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL7955171 0.83 CHRNB4 (0.52) CHRNB4CHRNA3LTA4H
SCHEMBL11712033 0.83 CHRNB4 (0.47) CHRNB4CHRNA3LTA4H

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2007056023-A2 THIAZOLE INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO disclosed