SCHEMBL28891302

SCHEMBL28891302

CN(CCO)CC1CCN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL28891300 1.00 TACR3 (0.33) TACR3KDM2BHRH3DPP8DPP7
SCHEMBL23910211 0.84 POLB (0.35) ALDH1A1
SCHEMBL22124553 0.84 POLB (0.35) ALDH1A1
SCHEMBL20702387 0.83 TACR3 (0.37) TACR3HRH3DPP8DPP7ALDH1A1
SCHEMBL4328443 0.83 TACR3 (0.37) TACR3HRH3DPP8DPP7ALDH1A1
SCHEMBL20702384 0.83 TACR3 (0.37) TACR3HRH3DPP8DPP7ALDH1A1
SCHEMBL30407915 0.80 NR1H2 (0.45) ALDH1A1
SCHEMBL28891309 0.80 NR1H2 (0.45) ALDH1A1
SCHEMBL28891306 0.80 NR1H2 (0.45) ALDH1A1
SCHEMBL22124551 0.80 DPP8 (0.35) TACR3DPP8DPP7

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
CN-115362152-A Compound (I) 英夫拉索姆有限公司 2022-11-18 CN disclosed