SCHEMBL28537484

SCHEMBL28537484

O=C(O)c1ccc(N2C[C@H](c3ccc(C(F)(F)F)cc3)CC[C@H]2COC(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.38
PTGER4 P35408 4/20 0.37
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
SSTR5 P35346 1/20 0.36
NOTUM Q6P988 1/20 0.36
P2RY14 Q15391 7/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
OPRD1 P41143 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LTA4H P09960 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
FPR1 P21462 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
SCHEMBL28529305 1.00 SRD5A2 (0.38) SRD5A2PTGER4CCR2KCNH2SSTR5
SCHEMBL23631891 0.91 SRD5A2 (0.39) SRD5A2PTGER4CCR2KCNH2NOTUM
SCHEMBL28533682 0.91 SRD5A2 (0.39) SRD5A2PTGER4CCR2KCNH2NOTUM
SCHEMBL28540107 0.91 SRD5A2 (0.39) SRD5A2PTGER4CCR2KCNH2NOTUM
SCHEMBL28533662 0.89 CCR2 (0.42) CCR2KCNH2FPR1FPR2
SCHEMBL21616595 0.86 SRD5A2 (0.38) SRD5A2PTGER4CCR2KCNH2SSTR5
SCHEMBL28626815 0.86 P2RY14 (0.38) SRD5A2PTGER4CCR2KCNH2NOTUM
SCHEMBL21616645 0.86 P2RY14 (0.38) SRD5A2PTGER4CCR2KCNH2NOTUM
SCHEMBL23632088 0.86 P2RY14 (0.38) SRD5A2PTGER4CCR2KCNH2NOTUM
SCHEMBL28614536 0.86 P2RY14 (0.38) SRD5A2PTGER4CCR2KCNH2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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