SCHEMBL28542508

SCHEMBL28542508

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.38
P2RY14 Q15391 8/20 0.35
PTGER4 P35408 1/20 0.35
F2R P25116 4/20 0.35
LTA4H P09960 1/20 0.35
ADRA2A P08913 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
OPRD1 P41143 1/20 0.34
NOTUM Q6P988 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ADRA1B P35368 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL21616597 0.91 SRD5A2 (0.37) SRD5A2P2RY14PTGER4LTA4HADRA2A
SCHEMBL28910599 0.91 P2RY14 (0.37) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28532591 0.90 SRD5A2 (0.36) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28533648 0.90 P2RY14 (0.43) SRD5A2P2RY14PTGER4F2RCCR2
SCHEMBL28532617 0.89 LIPC (0.40) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28526814 0.89 SRD5A2 (0.39) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28533463 0.88 SRD5A2 (0.38) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28910602 0.87 FPR1 (0.41) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28525709 0.86 SRD5A2 (0.43) SRD5A2P2RY14PTGER4F2RLTA4H
SCHEMBL28526800 0.85 RBP4 (0.39) P2RY14F2RADRA2ASIGMAR1DRD1

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