SCHEMBL22791200

SCHEMBL22791200

CC(C)Cn1nc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.39
▸ HTR3A P46098 4/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ EPHX2 P34913 1/20 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
SCHEMBL22791289 0.91 PTGDR2 (0.41) PTGER4PTGDR2DRD4SIGMAR1TRPV1
SCHEMBL22791152 0.91 PTGDR2 (0.41) PTGER4PTGDR2DRD4SIGMAR1TRPV1
SCHEMBL22791290 0.91 PTGDR2 (0.41) PTGER4PTGDR2DRD4SIGMAR1TRPV1
SCHEMBL29614541 0.90 PTGER4 (0.51) PTGER4HTR3ABRD4PTGDR2DRD4
SCHEMBL22776476 0.90 PTGER4 (0.51) PTGER4HTR3ABRD4PTGDR2DRD4
SCHEMBL22777272 0.90 PTGER4 (0.51) PTGER4HTR3ABRD4PTGDR2DRD4
SCHEMBL22791249 0.89 BRD4 (0.37) PTGER4HTR3ABRD4PTGDR2DRD4
SCHEMBL22791199 0.89 HTR4 (0.44) BRD4DRD4
SCHEMBL29614436 0.86 PTGER4 (0.38) PTGER4HTR3ABRD4PTGDR2DRD4
SCHEMBL22791202 0.83 ACSL1 (0.43) PTGER4PTGDR2DRD4SIGMAR1

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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