SCHEMBL23636802

SCHEMBL23636802

Cc1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.48
ACACB O00763 12/20 0.47
LPL P06858 1/20 0.47
LIPC P11150 1/20 0.47
FPR2 P25090 1/20 0.47
PROKR1 Q8TCW9 1/20 0.47
OXTR P30559 1/20 0.44
AVPR1A P37288 1/20 0.44

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
SCHEMBL23636616 0.86 LIPG (0.51) LIPGACACBLIPC
SCHEMBL7958655 0.82 LIPG (0.50) LIPGACACBLPLLIPCFPR2
SCHEMBL23636863 0.81 LIPG (0.52) LIPGACACBLIPC
SCHEMBL425198 0.80 HRH3 (0.56) LIPGACACBLPLLIPC
SCHEMBL16433609 0.79 HRH3 (0.55) LIPGACACB
SCHEMBL23636689 0.78 LIPG (0.52) LIPGACACBLPLLIPC
SCHEMBL23632330 0.78 HRH3 (0.54) LIPGACACBLIPC
SCHEMBL23631982 0.77 LIPG (0.59) LIPGACACBLPLLIPC
SCHEMBL23632266 0.77 LIPG (0.59) LIPGACACBLPLLIPC
SCHEMBL23631980 0.77 LIPG (0.59) LIPGACACBLPLLIPC

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