SCHEMBL7327508

SCHEMBL7327508

CC(C)(C)OC(=O)N1CCCC(COc2ccc(Cc3ccccc3)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.55
CHEK2 O96017 1/20 0.53
HTR6 P50406 4/20 0.50
BCHE P06276 2/20 0.50
ACKR3 P25106 1/20 0.50
YAP1 P46937 3/20 0.49
PRMT5 O14744 2/20 0.48
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
KDM1A O60341 1/20 0.48
SCN9A Q15858 1/20 0.48
LTA4H P09960 2/20 0.48
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47

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
SCHEMBL7357696 0.92 YAP1 (0.55) CHEK2HTR6BCHEACKR3YAP1
SCHEMBL3443784 0.91 CHEK2 (0.56) USP30CHEK2HTR6BCHEACKR3
SCHEMBL3443787 0.91 CHEK2 (0.56) USP30CHEK2HTR6BCHEACKR3
SCHEMBL7356793 0.86 CHEK2 (0.60) USP30CHEK2ACKR3ALOX5APFEN1
SCHEMBL17729089 0.85 CHEK2 (0.56) CHEK2HTR6BCHEACKR3ALOX5AP
SCHEMBL1769253 0.85 CHEK2 (0.56) CHEK2HTR6BCHEACKR3ALOX5AP
SCHEMBL13876978 0.84 KDM4E (0.56) USP30YAP1
SCHEMBL23250048 0.83 YAP1 (0.50) CHEK2HTR6BCHEYAP1PRMT5
SCHEMBL23250074 0.83 YAP1 (0.50) CHEK2HTR6BCHEYAP1PRMT5
SCHEMBL3323958 0.83 HTR6 (0.54) USP30HTR6BCHEACKR3YAP1

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