SCHEMBL29604635

SCHEMBL29604635

CC1(C)OB(c2cccc([C@@]3(O)CCN(CC(F)(F)F)C3=O)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
ROCK1 Q13464 1/20 0.35
BACE1 P56817 5/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GRM4 Q14833 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
F2 P00734 2/20 0.31
F11 P03951 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL27121386 1.00 LIPG (0.35) LIPGLPLROCK1BACE1PRMT5
SCHEMBL26969399 1.00 LIPG (0.35) LIPGLPLROCK1BACE1PRMT5
SCHEMBL29605611 0.81 GRIN1 (0.38) LIPGLPLROCK1BACE1OPRD1
SCHEMBL26644198 0.81 GRIN1 (0.38) LIPGLPLROCK1BACE1OPRD1
SCHEMBL26644195 0.81 GRIN1 (0.38) LIPGLPLROCK1BACE1OPRD1
SCHEMBL26969531 0.80 HSD11B1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL29604688 0.80 HSD11B1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL29604773 0.80 HSD11B1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL29604602 0.77 GRIN1 (0.41) LIPGLPLROCK1BACE1OPRD1
SCHEMBL26969389 0.77 GRIN1 (0.41) LIPGLPLROCK1BACE1OPRD1

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-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed