SCHEMBL29614474

SCHEMBL29614474

COC(=O)c1ccc([C@H](C)NC(=O)c2n[nH]c3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 6/20 0.44
▸ PTGER4 P35408 10/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ TRPV1 Q8NER1 3/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL22776910 1.00 PDE2A (0.44) PDE2APTGER4PTGER2TRPV1PTGDR
SCHEMBL22776912 1.00 PDE2A (0.44) PDE2APTGER4PTGER2TRPV1PTGDR
SCHEMBL22776614 0.91 PTGER4 (0.53) PDE2APTGER4PTGER2PTGDR
SCHEMBL22776466 0.91 PTGER4 (0.53) PDE2APTGER4PTGER2PTGDR
SCHEMBL29527734 0.91 PTGER4 (0.53) PDE2APTGER4PTGER2PTGDR
SCHEMBL22791345 0.83 PTGER4 (0.57) PTGER4PTGER2PTGDR
SCHEMBL22776437 0.82 PTGER4 (0.44) PDE2APTGER4PTGER2PTGDRGPR139
SCHEMBL22776436 0.82 PTGER4 (0.44) PDE2APTGER4PTGER2PTGDRGPR139
SCHEMBL22776632 0.81 PTGER4 (0.45) PDE2APTGER4PTGER2PTGDRGPR139
SCHEMBL22776633 0.81 PTGER4 (0.45) PDE2APTGER4PTGER2PTGDRGPR139

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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