SCHEMBL19291385

SCHEMBL19291385

CNCCC#Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ADAM17 P78536 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KAT6A Q92794 1/20 0.39

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
SCHEMBL25820645 0.89 CHRNB4 (0.46) CHRNB4CHRNA3CARM1PRMT6TLR4
SCHEMBL4568821 0.86 CHRNA3 (0.51) CHRNB4CHRNA3TLR4TLR2CHRNB2
SCHEMBL2208539 0.84 CHRNB4 (0.48) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL13881607 0.84 CHRNB4 (0.46) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL2206912 0.84 CHRNB4 (0.56) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL4568824 0.84 CHRNB4 (0.47) CHRNB4CHRNA3TLR4TLR2PARP15
SCHEMBL2204534 0.81 TLR4 (0.45) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL3963497 0.81 TLR4 (0.47) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL19291642 0.78 HTR1B (0.50) CARM1PRMT6TLR4TLR2SIRT2
SCHEMBL25819210 0.78 HTR1B (0.50) CARM1PRMT6TLR4TLR2SIRT2

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
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 EP disclosed