SCHEMBL8525967

SCHEMBL8525967

CC(C)(C)OC(=O)N1CCC(C2CC[N]CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.59
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.50
EPHX1 P07099 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49

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
SCHEMBL310117 0.89 GPR119 (0.67) GPR119HPGDRECQLEPHX1
SCHEMBL13274147 0.88 GPR119 (0.65) GPR119HPGDRECQLEPHX1
SCHEMBL21359212 0.84 EPHX1 (0.62) GPR119HPGDRECQLEPHX1
SCHEMBL19702701 0.83 EPHX1 (0.65) GPR119HPGDRECQLEPHX1
SCHEMBL5567218 0.83 GPR119 (0.60) GPR119HPGDRECQLEPHX1
SCHEMBL8661760 0.83 GPR119 (0.64) GPR119HPGDRECQLEPHX1
SCHEMBL12440604 0.83 GPR119 (0.60) GPR119HPGDRECQLEPHX1
SCHEMBL31551882 0.82 GPR119 (0.59) GPR119HPGDRECQLEPHX1PTPN2
SCHEMBL653566 0.82 USP2 (0.58) GPR119HPGDRECQLEPHX1
SCHEMBL2674022 0.81 RECQL (0.59) GPR119HPGDRECQLEPHX1

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-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP claimed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO claimed
EP-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP disclosed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO disclosed