SCHEMBL27790232

SCHEMBL27790232

O=C(N1CC[C@@H](O)C1)N1CC[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
KCNK3 O14649 1/20 0.34
LIPE Q05469 1/20 0.34
PDK2 Q15119 1/20 0.34
HDAC4 P56524 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
GRM5 P41594 1/20 0.33
VNN1 O95497 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 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
SCHEMBL27490317 1.00 DPP4 (0.46) DPP4DPP7CA12CA1CA2
SCHEMBL27811427 1.00 DPP4 (0.46) DPP4DPP7CA12CA1CA2
SCHEMBL18855910 0.91 ALDH1A1 (0.52) DPP4DPP7CA12CA1CA2
SCHEMBL31258812 0.85 CA2 (0.53) DPP4DPP7CA12CA1CA2
SCHEMBL18390509 0.85 CYP1A2 (0.43) DPP4DPP7ALDH1A1HRH3CYP2D6
SCHEMBL31258811 0.85 CA2 (0.53) DPP4DPP7CA12CA1CA2
SCHEMBL18390486 0.85 CA2 (0.53) DPP4DPP7CA12CA1CA2
SCHEMBL17457507 0.85 CA12 (0.55) DPP4DPP7CA12CA1CA2
SCHEMBL27582147 0.85 CA12 (0.55) DPP4DPP7CA12CA1CA2
SCHEMBL27924788 0.85 CA12 (0.55) DPP4DPP7CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605794-B Azabenzofuranyl compounds and methods of use GENENTECH INC US 2013-06-12 CN claimed
CN-101827838-A Cannabinoid receptor ligand ASTRAZENECA AB 2010-09-08 CN claimed
CN-101605794-B Azabenzofuranyl compounds and methods of use GENENTECH INC US 2013-06-12 CN disclosed
CN-101827838-A Cannabinoid receptor ligand ASTRAZENECA AB 2010-09-08 CN disclosed