SCHEMBL7326386

SCHEMBL7326386

CC(C)(C)OC(=O)N1CCC(CCOc2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.61
YAP1 P46937 3/20 0.57
TEAD1 P28347 1/20 0.54
TEAD3 Q99594 1/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
STS P08842 1/20 0.53
LTA4H P09960 2/20 0.52
CHEK2 O96017 1/20 0.51

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
SCHEMBL3358504 0.91 YAP1 (0.65) GPR119YAP1TEAD1TEAD3KDM4E
SCHEMBL2158159 0.91 GPR119 (0.65) GPR119YAP1TEAD1TEAD3KDM4E
SCHEMBL23453749 0.90 GPR119 (0.60) GPR119YAP1CHEK2
SCHEMBL23453711 0.90 GPR119 (0.60) GPR119YAP1CHEK2
SCHEMBL944418 0.86 GPR119 (0.57) GPR119YAP1TEAD1TEAD3KDM4E
SCHEMBL16385072 0.85 GPR119 (0.67) GPR119TEAD1TEAD3KDM4EPKM
SCHEMBL13335340 0.85 GPR119 (0.70) GPR119CHEK2
SCHEMBL22436046 0.84 GPR119 (0.61) GPR119YAP1CHEK2
SCHEMBL7373950 0.84 GPR119 (0.63) GPR119TEAD1TEAD3CHEK2
SCHEMBL4322579 0.84 GPR119 (0.65) GPR119STSCHEK2

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-0674514-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994013291-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO disclosed