SCHEMBL28534573

SCHEMBL28534573

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.37
ACACB O00763 2/20 0.36
RBP4 P02753 1/20 0.36
P2RY14 Q15391 7/20 0.35
SCN9A Q15858 1/20 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
ADRB3 P13945 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 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
SCHEMBL21616577 1.00 PROKR1 (0.37) PROKR1ACACBRBP4P2RY14SCN9A
SCHEMBL21616583 1.00 PROKR1 (0.37) PROKR1ACACBRBP4P2RY14SCN9A
SCHEMBL21616590 1.00 PROKR1 (0.37) PROKR1ACACBRBP4P2RY14SCN9A
SCHEMBL28529263 0.92 RBP4 (0.38) PROKR1ACACBRBP4P2RY14HDAC3
SCHEMBL28526859 0.90 MAOB (0.38) PROKR1ACACB
SCHEMBL28537468 0.90 MAOB (0.38) PROKR1ACACB
SCHEMBL23632375 0.86 P2RY14 (0.37) PROKR1P2RY14ADRB3ADRA2CDRD1
SCHEMBL21616632 0.86 P2RY14 (0.37) PROKR1P2RY14ADRB3ADRA2CDRD1
SCHEMBL23631928 0.86 P2RY14 (0.37) PROKR1P2RY14ADRB3ADRA2CDRD1
SCHEMBL28616314 0.86 P2RY14 (0.37) PROKR1P2RY14ADRB3ADRA2CDRD1

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