SCHEMBL21616632

SCHEMBL21616632

CCC(F)(F)OC[C@@H]1CCC(c2ccc(C(F)(F)F)cc2)CN1c1ccc(C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 8/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
SRD5A2 P31213 2/20 0.36
KCNH2 Q12809 2/20 0.36
CCR2 P41597 1/20 0.36
PTGER4 P35408 1/20 0.36
ADRA2C P18825 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
PROKR1 Q8TCW9 2/20 0.35
ADRB3 P13945 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35

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
SCHEMBL23632375 1.00 P2RY14 (0.37) P2RY14FPR1FPR2SRD5A2KCNH2
SCHEMBL23631928 1.00 P2RY14 (0.37) P2RY14FPR1FPR2SRD5A2KCNH2
SCHEMBL28616314 1.00 P2RY14 (0.37) P2RY14FPR1FPR2SRD5A2KCNH2
SCHEMBL28542875 0.91 SRD5A2 (0.37) P2RY14FPR1FPR2SRD5A2PTGER4
SCHEMBL23631881 0.91 CCR2 (0.41) FPR1FPR2KCNH2CCR2NOTUM
SCHEMBL28529252 0.91 CCR2 (0.41) FPR1FPR2KCNH2CCR2NOTUM
SCHEMBL23632088 0.88 P2RY14 (0.38) P2RY14FPR1FPR2SRD5A2KCNH2
SCHEMBL21616645 0.88 P2RY14 (0.38) P2RY14FPR1FPR2SRD5A2KCNH2
SCHEMBL28626815 0.88 P2RY14 (0.38) P2RY14FPR1FPR2SRD5A2KCNH2
SCHEMBL28614536 0.88 P2RY14 (0.38) P2RY14FPR1FPR2SRD5A2KCNH2

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
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
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO disclosed