SCHEMBL8488909

SCHEMBL8488909

[CH2]C#Cc1cncc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
HCAR2 Q8TDS4 1/20 0.36
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNA7 P36544 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
SCHEMBL1477711 0.75 GRM5 (0.55) GRM5CHRNB2CHRNA4
SCHEMBL29434830 0.75 GRM5 (0.40) GRM5HCAR2CHRNB2CHRNA4
SCHEMBL1476913 0.75 GRM5 (0.40) GRM5HCAR2CHRNB2CHRNA4
SCHEMBL16114950 0.74 CYP11B1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8486570 0.74 GRM5 (0.47) GRM5HCAR2CHRNB2CHRNA4CHRNB4
SCHEMBL19781338 0.74 GRM5 (0.36) GRM5HCAR2
SCHEMBL565871 0.73
SCHEMBL1040544 0.73
SCHEMBL12805238 0.73
SCHEMBL1477396 0.73

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-1999055703-A1 2-ALKYL-3-(HETERO)ARYL-8-AZABICYCLO[3.2.1]ALKANES AS PESTICIDES ZENECA LIMITED (GB) 1999-11-04 WO disclosed