SCHEMBL4414580

SCHEMBL4414580

NC1CC2(C(=O)O)CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.38
GRM2 Q14416 4/20 0.38
GRM3 Q14832 4/20 0.38
GRM6 O15303 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
ALOX15 P16050 2/20 0.38
GRM1 Q13255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GRM8 O00222 2/20 0.38
LMNA P02545 1/20 0.38
GRM5 P41594 1/20 0.38
MTOR P42345 1/20 0.38
PLCB1 Q9NQ66 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 1/20 0.31
MEN1 O00255 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
SCHEMBL31178076 0.77 GRM2 (0.31) GRM4GRM2GRM3GRM6CYP2C19
SCHEMBL10293983 0.75 GRM4 (0.39) GRM4GRM2GRM3GRM6CYP2C19
SCHEMBL4168964 0.73 HSD11B1 (0.36) ALDH1A1KDM4E
SCHEMBL24583089 0.67 APLNR (0.31)
SCHEMBL19819919 0.67
SCHEMBL152754 0.66 ALDH1A1 (0.40) GRM4GRM2GRM3GRM6CYP2C19
SCHEMBL20952430 0.65 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2C9
SCHEMBL587339 0.64 FFAR3 (0.35) GRM4GRM2GRM3GRM6CYP2C19
SCHEMBL2877125 0.64 GRM2 (0.40) GRM4GRM2GRM3GRM6CYP2C19
Hydrochloric Acid SCHEMBL17536887 0.64 PKM (0.39) GRM4GRM2GRM3GRM6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635751-B2 Peptides having ligand activities on APJ that is an orphan G protein-coupled receptor, and use thereof TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-22 US disclosed
EP-1270585-B1 PEPTIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-05-17 EP disclosed
US-20040116336-A1 Peptide derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1116727-B1 PEPTIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-19 EP disclosed
EP-1270585-A1 PEPTIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
CN-1328568-A Peptide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-26 CN disclosed
EP-1116727-A1 PEPTIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2001-07-18 EP disclosed