SCHEMBL7357696

SCHEMBL7357696

CC(C)(C)OC(=O)N1CCCC(COc2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.55
PRMT5 O14744 5/20 0.54
CHEK2 O96017 1/20 0.53
HTR6 P50406 4/20 0.50
BCHE P06276 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
ACKR3 P25106 1/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KAT7 O95251 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL7327508 0.92 USP30 (0.55) YAP1PRMT5CHEK2HTR6BCHE
SCHEMBL3443784 0.91 CHEK2 (0.56) PRMT5CHEK2HTR6BCHEACKR3
SCHEMBL3443787 0.91 CHEK2 (0.56) PRMT5CHEK2HTR6BCHEACKR3
SCHEMBL3323952 0.90 HTR6 (0.54) YAP1PRMT5HTR6BCHEACKR3
SCHEMBL3323958 0.90 HTR6 (0.54) YAP1PRMT5HTR6BCHEACKR3
SCHEMBL23250074 0.87 YAP1 (0.50) YAP1PRMT5CHEK2HTR6BCHE
SCHEMBL23250048 0.87 YAP1 (0.50) YAP1PRMT5CHEK2HTR6BCHE
SCHEMBL12813454 0.87 YAP1 (0.66) YAP1PRMT5
SCHEMBL22617003 0.87 ACKR3 (0.53) PRMT5HTR6BCHEACKR3JAK2
SCHEMBL22623274 0.87 ACKR3 (0.53) PRMT5HTR6BCHEACKR3JAK2

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