SCHEMBL28614536

SCHEMBL28614536

CCOC[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)CN1c1ccc(C(=O)O)cc1.CCOC[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)CN1c1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.38
SRD5A2 P31213 2/20 0.38
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTGER4 P35408 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
NOTUM Q6P988 1/20 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
KDM2B Q8NHM5 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
EPHX2 P34913 1/20 0.36
PROKR1 Q8TCW9 2/20 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
SCHEMBL28626815 1.00 P2RY14 (0.38) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL23632088 1.00 P2RY14 (0.38) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL21616645 1.00 P2RY14 (0.38) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL21616633 0.91 LIPC (0.40) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL28526814 0.91 SRD5A2 (0.39) P2RY14SRD5A2PTGER4LIPG
SCHEMBL21616595 0.90 SRD5A2 (0.38) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL21616597 0.89 SRD5A2 (0.37) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL21616632 0.88 P2RY14 (0.37) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL23631928 0.88 P2RY14 (0.37) P2RY14SRD5A2CCR2KCNH2PTGER4
SCHEMBL23632375 0.88 P2RY14 (0.37) P2RY14SRD5A2CCR2KCNH2PTGER4

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-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed