SCHEMBL29614425

SCHEMBL29614425

CCn1nc(C(=O)NC23CC(CC(=O)O)(C2)C3)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.36
▸ PTGDR2 Q9Y5Y4 8/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ P2RY14 Q15391 1/20 0.32

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
SCHEMBL22776425 1.00 PTGER4 (0.36) PTGER4PTGDR2NPY5REGLN1HCRTR1
SCHEMBL22776453 0.92 PTGER4 (0.34) PTGER4PTGDR2NPY5RHCRTR1HCRTR2
SCHEMBL22777088 0.91 PTGER4 (0.35) PTGER4PTGDR2NPY5REGLN1P2RY14
SCHEMBL22776455 0.88 HTR4 (0.34) PTGER4NPY5REGLN1
SCHEMBL22791294 0.85 PTGER4 (0.34) PTGER4PTGDR2NPY5RHCRTR1HCRTR2
SCHEMBL22776491 0.83 FPR1 (0.33) PTGER4PTGDR2
SCHEMBL22777090 0.83 PDE4A (0.37) PTGER4
SCHEMBL22776540 0.81 PTGER4 (0.42) PTGER4PTGDR2NPY5RHCRTR1HCRTR2
SCHEMBL22776728 0.79 HIF1A (0.35) EGLN1
SCHEMBL29527365 0.79 HIF1A (0.35) EGLN1

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
EP-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 — — EP disclosed
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