SCHEMBL23636616

SCHEMBL23636616

Cc1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.51
ACACB O00763 15/20 0.49
LIPC P11150 1/20 0.49
NOTUM Q6P988 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
SCHEMBL23636802 0.86 LIPG (0.48) LIPGACACBLIPC
SCHEMBL7958655 0.85 LIPG (0.50) LIPGACACBLIPCNOTUM
SCHEMBL23636863 0.84 LIPG (0.52) LIPGACACBLIPC
SCHEMBL23636965 0.84 MEN1 (0.52) ACACB
SCHEMBL23632330 0.84 HRH3 (0.54) LIPGACACBLIPCNOTUM
SCHEMBL23636689 0.84 LIPG (0.52) LIPGACACBLIPCNOTUM
SCHEMBL23631980 0.83 LIPG (0.59) LIPGACACBLIPCNOTUM
SCHEMBL23631982 0.83 LIPG (0.59) LIPGACACBLIPCNOTUM
SCHEMBL23632266 0.83 LIPG (0.59) LIPGACACBLIPCNOTUM
SCHEMBL30065043 0.82 ACACB (0.53) LIPGACACBLIPCNOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021139599-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed