SCHEMBL28525709

SCHEMBL28525709

O=C(O)c1ccc(N2CC(c3ccc(C(F)(F)F)cc3)C[C@H]2CF)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.43
F2R P25116 4/20 0.38
NOTUM Q6P988 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
P2RY14 Q15391 5/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
OPRD1 P41143 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EPHX2 P34913 1/20 0.37
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PTGER4 P35408 1/20 0.37
CYP2C8 P10632 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL21616603 0.90 SRD5A2 (0.43) SRD5A2NOTUMRXRARXRBRXRG
SCHEMBL28910602 0.87 FPR1 (0.41) SRD5A2F2RNOTUMP2RY14ADRA2A
SCHEMBL28542508 0.86 SRD5A2 (0.38) SRD5A2F2RNOTUMRXRARXRB
SCHEMBL23631891 0.85 SRD5A2 (0.39) SRD5A2F2RNOTUMRXRARXRB
SCHEMBL28526814 0.85 SRD5A2 (0.39) SRD5A2F2RP2RY14PTGER4LTA4H
SCHEMBL28540107 0.85 SRD5A2 (0.39) SRD5A2F2RNOTUMRXRARXRB
SCHEMBL28533682 0.85 SRD5A2 (0.39) SRD5A2F2RNOTUMRXRARXRB
SCHEMBL21616610 0.84 SRD5A2 (0.38) SRD5A2F2RP2RY14PTGER4LTA4H
SCHEMBL28533463 0.84 SRD5A2 (0.38) SRD5A2F2RNOTUMP2RY14ADRA2A
SCHEMBL28542875 0.83 SRD5A2 (0.37) SRD5A2F2RP2RY14ADRA2AADRA2B

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