SCHEMBL28529263

SCHEMBL28529263

CCC(F)(F)OC[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1c1ncc(C(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.38
ACACB O00763 2/20 0.37
F2R P25116 4/20 0.35
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
HDAC5 Q9UQL6 1/20 0.34
P2RY14 Q15391 5/20 0.34
PROKR1 Q8TCW9 2/20 0.34
GRM4 Q14833 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL21616590 0.92 PROKR1 (0.37) RBP4ACACBF2RHDAC3HDAC4
SCHEMBL21616583 0.92 PROKR1 (0.37) RBP4ACACBF2RHDAC3HDAC4
SCHEMBL28534573 0.92 PROKR1 (0.37) RBP4ACACBF2RHDAC3HDAC4
SCHEMBL21616577 0.92 PROKR1 (0.37) RBP4ACACBF2RHDAC3HDAC4
SCHEMBL28532378 0.90 MAOB (0.38) ACACBLMNA
SCHEMBL28542875 0.86 SRD5A2 (0.37) F2RP2RY14
SCHEMBL23632578 0.85 ACACB (0.37) RBP4ACACBGRM4HRH3
SCHEMBL23632822 0.85 ACACB (0.37) RBP4ACACBGRM4HRH3
SCHEMBL28533707 0.85 RBP4 (0.39) RBP4ACACBF2RHDAC3HDAC4
SCHEMBL28540869 0.85 RBP4 (0.39) RBP4ACACBF2RHDAC3HDAC4

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