SCHEMBL7036046

SCHEMBL7036046

Nc1ccc2c(c1)CC[C@H](CC(=O)O)O2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
FFAR4 Q5NUL3 7/20 0.41
FFAR1 O14842 2/20 0.41
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL6350183 1.00 ITGB3 (0.57) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL6350179 1.00 ITGB3 (0.57) ITGB3ITGA2BFFAR4FFAR1DRD2
Hydrochloric Acid SCHEMBL7028247 0.99 ITGB3 (0.56) ITGB3ITGA2BFFAR4FFAR1DRD2
Hydrochloric Acid SCHEMBL6699749 0.99 ITGB3 (0.56) ITGB3ITGA2BFFAR4FFAR1DRD2
Hydrochloric Acid SCHEMBL7031484 0.99 ITGB3 (0.56) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL18160779 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL28857157 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL27755780 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL28857113 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1DRD2
SCHEMBL6351624 0.82 MLNR (0.39) ITGB3ITGA2BFFAR4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286982-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES Eli Lilly & Company (US) 2003-03-05 EP claimed
WO-2001094333-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYCLIC COMPOUNDS AND CHIRAL BENZOPYRAN DERIVATIVES ELI LILLY & COMPANY (US) 2001-12-13 WO claimed
EP-1286982-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES Eli Lilly & Company (US) 2003-03-05 EP disclosed
WO-2001094333-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYCLIC COMPOUNDS AND CHIRAL BENZOPYRAN DERIVATIVES ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed