SCHEMBL22791298

SCHEMBL22791298

CC(C)n1nc(C(=O)NC23CC(CC(=O)O)(C2)[C@@H]3C)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 15/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGER4 P35408 2/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL22791251 0.89 PTGER4 (0.33) PTGER4PTGER2NPY5REGLN1PTGDR2
SCHEMBL22791294 0.88 PTGER4 (0.34) PTGER4PTGER2NPY5RPTGDR2
SCHEMBL22776455 0.86 HTR4 (0.34) HTR4KCNH2PTGER4HTR2ANPY5R
SCHEMBL22791540 0.81 GSK3B (0.36) PTGER4PTGER2HTR2AEGLN1
SCHEMBL22791483 0.81 FPR1 (0.32) PTGER4PTGDR2
SCHEMBL22791412 0.80 PDE4A (0.35) PTGER4PTGER2
SCHEMBL22777101 0.80 HTR4 (0.36) HTR4KCNH2PTGER4NPY5R
SCHEMBL22791408 0.79 P2RX7 (0.37) PTGER4PTGER2
SCHEMBL22776609 0.79 LDHA (0.39) HTR4PTGER4NPY5R
SCHEMBL29527167 0.79 LDHA (0.39) HTR4PTGER4NPY5R

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
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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