SCHEMBL7872606

SCHEMBL7872606

NC12CCC(CC1CC(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.47
GRM5 P41594 2/20 0.47
GRM1 Q13255 2/20 0.47
SLC6A12 P48065 4/20 0.38
SLC6A11 P48066 4/20 0.38
SLC6A13 Q9NSD5 3/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 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
SCHEMBL9875452 0.75 GRM2 (0.43) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL3926736 0.74 GRM2 (0.42) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL11612533 0.72 GRM2 (0.37) GRM2GRM5GRM1HSD11B1CYP1A2
SCHEMBL339517 0.72 SLC6A12 (0.46) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL4452499 0.72 SLC6A12 (0.46) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL1029829 0.72 SLC6A12 (0.46) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL24904452 0.70
SCHEMBL19982481 0.67 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL144394 0.65
SCHEMBL16535275 0.65 GRM2 (1.00) GRM2GRM5GRM1GRM3GRM4

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
EP-1133481-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-R AND/OR LCK TYROSINE KINASE INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-09-19 EP disclosed
WO-2000031049-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-R AND/OR LCK TYROSINE KINASE INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-02 WO disclosed