SCHEMBL28533707

SCHEMBL28533707

O=C(O)c1cnc(N2CC(c3ccc(C(F)(F)F)cc3)C[C@@H]2COC(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.39
ACACB O00763 2/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GRM4 Q14833 1/20 0.35
F2R P25116 4/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PROKR1 Q8TCW9 2/20 0.33
SCN9A Q15858 1/20 0.33
PSEN1 P49768 2/20 0.33

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
SCHEMBL28540869 1.00 RBP4 (0.39) RBP4ACACBHDAC3HDAC4HDAC1
SCHEMBL28910594 0.91 ACACB (0.38) RBP4ACACBHDAC3HDAC4HDAC1
SCHEMBL21619926 0.86 ACACB (0.36) ACACBHRH3PSEN1PSEN2APH1B
SCHEMBL21616679 0.86 RBP4 (0.43) RBP4ACACBHDAC3HDAC4HDAC1
SCHEMBL28526800 0.86 RBP4 (0.39) RBP4ACACBHDAC3HDAC4HDAC1
SCHEMBL28537090 0.86 PTGIR (0.40) RBP4ACACBHDAC3HDAC4HDAC1
SCHEMBL23631891 0.85 SRD5A2 (0.39) F2RPSEN1PSEN2APH1BNCSTN
SCHEMBL28540107 0.85 SRD5A2 (0.39) F2RPSEN1PSEN2APH1BNCSTN
SCHEMBL28533682 0.85 SRD5A2 (0.39) F2RPSEN1PSEN2APH1BNCSTN
SCHEMBL23632735 0.85 ACACB (0.38) RBP4ACACBHDAC3HDAC4HDAC1

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
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed