SCHEMBL23632245

SCHEMBL23632245

O=C(O)c1cnc(N2C[C@H](Oc3ccc(C(F)(F)F)cc3)C[C@H]2COCCF)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
LIPG Q9Y5X9 5/20 0.37
LPL P06858 1/20 0.37
ACACB O00763 1/20 0.36
RBP4 P02753 1/20 0.36
SCN9A Q15858 3/20 0.35
GRM4 Q14833 1/20 0.35
PRKAA2 P54646 1/20 0.35
LIPC P11150 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL23632766 0.89 PRKAA2 (0.41) EPHX2LIPGLPLACACBSCN9A
SCHEMBL23632197 0.89 PTGIR (0.39) EPHX2LIPGLPLACACBRBP4
SCHEMBL23632318 0.89 ACACB (0.44) EPHX2ACACBSCN9APRKAA2
SCHEMBL23632206 0.88 EPHX2 (0.39) EPHX2LIPGLPLACACBRBP4
SCHEMBL23632894 0.88 EPHX2 (0.39) EPHX2LIPGLPLACACBRBP4
SCHEMBL23632735 0.86 ACACB (0.38) EPHX2LIPGLPLACACBRBP4
SCHEMBL23632614 0.86 EPHX2 (0.43) EPHX2LIPGLIPCADRB2
SCHEMBL23632919 0.86 HTR1A (0.38) EPHX2ACACBSCN9A
SCHEMBL28526800 0.85 RBP4 (0.39) ACACBRBP4SCN9AGRM4MRGPRX4
SCHEMBL23632578 0.85 ACACB (0.37) EPHX2LIPGLPLACACBRBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4089079-A1 ROR GAMMA T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
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
CN-113072476-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed