SCHEMBL5082389

SCHEMBL5082389

O=C(O)C1CCC(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
GRM4 Q14833 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM5 P41594 1/20 0.35
MTOR P42345 1/20 0.35
GRM1 Q13255 1/20 0.35
PLCB1 Q9NQ66 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL4613257 0.77 ALDH1A1 (0.42) TSHRCYP2C19
SCHEMBL15334702 0.74 LMNA (0.41) GRM2GRM3GRM4TSHRCYP2C19
SCHEMBL4611586 0.74
SCHEMBL28992532 0.71 LMNA (0.38) TSHRLMNAGABRPGABRDGABRA1
SCHEMBL18199 0.71 TSHR (0.45) GRM2GRM3GRM4TSHRCYP2C19
Lithium SCHEMBL8042771 0.69 TSHR (0.43) GRM2GRM3GRM4TSHRCYP2C19
Hydrochloric Acid SCHEMBL3997454 0.69 TSHR (0.43) GRM2GRM3GRM4TSHRCYP2C19
SCHEMBL22348346 0.68 CYP2C19 (0.39) GRM2GRM3GRM4TSHRCYP2C19
SCHEMBL16336444 0.68 CYP2C19 (0.39) GRM2GRM3GRM4TSHRCYP2C19
SCHEMBL709793 0.68 CYP2C19 (0.39) GRM2GRM3GRM4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008132128-A2 SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND Solvay (Société Anonyme) (BE) 2008-11-06 WO disclosed