SCHEMBL28611997

SCHEMBL28611997

NN1CCCC1(N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
NSD2 O96028 1/20 0.31

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
SCHEMBL1062175 1.00 GRM2 (0.31) GRM2GRM3NSD2
SCHEMBL28885140 0.81 PKM (0.30)
SCHEMBL28885139 0.81 PKM (0.30)
SCHEMBL3310180 0.77
SCHEMBL9358435 0.77
SCHEMBL28833356 0.77 FFAR3 (0.32)
SCHEMBL28833355 0.77 FFAR3 (0.32)
Hydrochloric Acid SCHEMBL25356046 0.76
SCHEMBL9358438 0.75 FFAR3 (0.32)
SCHEMBL29850985 0.73 DPP4 (0.31)

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-107474105-B Preparation method of bulk drug obitasvir 安徽拜善晟制药有限公司 2021-08-31 CN disclosed