SCHEMBL20201820

SCHEMBL20201820

CNC1(c2cccc(OCC3CC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
DUT P33316 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 1/20 0.42
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
BACE1 P56817 2/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL22751565 0.79 DUT (0.57) ADAM17DUTACACBACACABACE1
SCHEMBL23653976 0.78 ADAM17 (0.52) ADAM17DUTACACBACACANR1H4
SCHEMBL17790227 0.78 NPY1R (0.54) SLC6A2SLC6A4
SCHEMBL20188810 0.78 TLR4 (0.47) ADAM17TLR4TLR2BACE1
SCHEMBL20377854 0.77 DUT (0.49) ADAM17DUTTLR4TLR2ACACB
SCHEMBL20393533 0.77 DUT (0.57) ADAM17DUTCARM1PRMT6
SCHEMBL14017660 0.77 OPRM1 (0.54) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL22751424 0.76 DUT (0.59) ADAM17DUT
SCHEMBL20374337 0.76 DUT (0.50) ADAM17DUTTLR4TLR2ACACB
SCHEMBL20201717 0.76 OPRM1 (0.39) DUTOPRM1OPRL1

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
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed