SCHEMBL300382

SCHEMBL300382

O=C(O)N1CC2CCCC(C2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.39
CHRNA4 P43681 12/20 0.39
CHRNA3 P32297 11/20 0.39
CHRNB4 P30926 10/20 0.39
CHRNA7 P36544 10/20 0.39
GRM1 Q13255 1/20 0.39
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19688969 0.90 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL19815874 0.85 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2939887 0.79 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL18711714 0.79 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17591956 0.77 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17591955 0.77 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17591954 0.77 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL28340951 0.75 HSD11B1 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4830410 0.75 HSD11B1 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL23091843 0.74 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed