SCHEMBL28600615

SCHEMBL28600615

NC1(C(=O)O)CCNCC1.NC1(C(=O)O)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.45
CYP1A2 P05177 4/20 0.45
GRM2 Q14416 3/20 0.45
GRM3 Q14832 3/20 0.45
CYP2C19 P33261 3/20 0.45
ALOX15 P16050 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GRM8 O00222 2/20 0.45
GRM6 O15303 2/20 0.45
LMNA P02545 1/20 0.45
GRM5 P41594 1/20 0.45
MTOR P42345 1/20 0.45
GRM1 Q13255 1/20 0.45
PLCB1 Q9NQ66 1/20 0.45
TSHR P16473 1/20 0.45
NSD2 O96028 1/20 0.44
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL180209 1.00 GRM4 (0.45) GRM4CYP1A2GRM2GRM3CYP2C19
Bromide SCHEMBL9657131 0.97 GRM4 (0.43) GRM4CYP1A2GRM2GRM3CYP2C19
Hydrochloric Acid SCHEMBL2991552 0.97 GRM4 (0.43) GRM4CYP1A2GRM2GRM3CYP2C19
Trifluoroacetic Acid SCHEMBL29456819 0.87 GRM4 (0.37) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL29956680 0.85
SCHEMBL1433577 0.85
SCHEMBL28595938 0.85
Hydrochloric Acid SCHEMBL25279878 0.83 GRM4 (0.41) GRM4CYP1A2GRM2GRM3CYP2C19
Hydrochloric Acid SCHEMBL28913902 0.83 GRM4 (0.41) GRM4CYP1A2GRM2GRM3CYP2C19
Hydrochloric Acid SCHEMBL28913901 0.83 GRM4 (0.41) GRM4CYP1A2GRM2GRM3CYP2C19

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
CN-113072617-B Polypeptide compound and application thereof 成都诺和晟泰生物科技有限公司 2023-08-08 CN disclosed
CN-113072617-A Polypeptide compound and application thereof 成都诺和晟泰生物科技有限公司 2021-07-06 CN disclosed