SCHEMBL11137888

SCHEMBL11137888

NC1CC(C(=O)O)CCC1(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.50
GRM3 Q14832 8/20 0.50
GRM6 O15303 8/20 0.50
GRM8 O00222 4/20 0.50
GRM5 P41594 5/20 0.48
GRM4 Q14833 4/20 0.48
GRM1 Q13255 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
MTOR P42345 1/20 0.48
PLCB1 Q9NQ66 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A4 P31645 1/20 0.47
GABRR1 P24046 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL13319983 0.72 GRM2 (0.53) GRM2GRM3GRM6GRM8GRM5
SCHEMBL7752047 0.71 GRM2 (0.47) GRM2GRM3GRM6GRM8GRM5
SCHEMBL2939527 0.69 GRM2 (0.46) GRM2GRM3GRM6GRM8GRM5
SCHEMBL7135246 0.69 GRM2 (0.46) GRM2GRM3GRM6GRM8GRM5
SCHEMBL27595459 0.69 GRM4 (0.76) GRM2GRM3GRM6GRM8GRM5
SCHEMBL28434000 0.68 GRM2 (0.44) GRM2GRM3GRM6GRM8GRM5
SCHEMBL27691317 0.68 GRM4 (0.56) GRM2GRM3GRM6GRM8GRM5
Eglumetad SCHEMBL13728495 0.67 GRM2 (1.00) GRM2GRM3GRM6GRM8GRM4
Eglumetad SCHEMBL481248 0.67 GRM2 (1.00) GRM2GRM3GRM6GRM8GRM4
Eglumetad SCHEMBL15060586 0.67 GRM2 (1.00) GRM2GRM3GRM6GRM8GRM4

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
US-4418211-A Preparation of trans-cyclohexane-1,4-disulphonyl urea AKZONA INCORPORATED (US) 1983-11-29 US disclosed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 US disclosed