SCHEMBL29614541

SCHEMBL29614541

CC(C)Cn1nc(C(=O)NC2CC3(C2)CC(C(=O)O)C3)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.51
▸ HTR3A P46098 7/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL22776476 1.00 PTGER4 (0.51) PTGER4HTR3APTGDR2ROCK2DRD4
SCHEMBL22777272 1.00 PTGER4 (0.51) PTGER4HTR3APTGDR2ROCK2DRD4
SCHEMBL22791369 0.91 PTGER4 (0.53) PTGER4HTR3APTGDR2ROCK2DRD4
SCHEMBL22776660 0.91 PTGER4 (0.53) PTGER4HTR3APTGDR2ROCK2DRD4
SCHEMBL29614446 0.91 PTGER4 (0.53) PTGER4HTR3APTGDR2ROCK2DRD4
SCHEMBL22791200 0.90 PTGER4 (0.39) PTGER4HTR3APTGDR2DRD4BRD4
SCHEMBL22776479 0.89 PTGER4 (0.43) PTGER4HTR3AROCK2DRD4BRD4
SCHEMBL29614459 0.89 PTGER4 (0.43) PTGER4HTR3AROCK2DRD4BRD4
SCHEMBL22776478 0.89 PTGER4 (0.43) PTGER4HTR3AROCK2DRD4BRD4
SCHEMBL22776526 0.89 PTGER4 (0.51) PTGER4

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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