SCHEMBL22791369

SCHEMBL22791369

CCn1nc(C(=O)N[C@H]2CC3(C2)C[C@H](C(=O)O)C3)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.53
▸ PTGDR2 Q9Y5Y4 5/20 0.36
▸ SLC6A5 Q9Y345 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ SIGMAR1 Q99720 3/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HTR3A P46098 2/20 0.33

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
SCHEMBL22776660 1.00 PTGER4 (0.53) PTGER4PTGDR2SLC6A5DRD4HCRTR1
SCHEMBL29614446 1.00 PTGER4 (0.53) PTGER4PTGDR2SLC6A5DRD4HCRTR1
SCHEMBL22777272 0.91 PTGER4 (0.51) PTGER4PTGDR2DRD4SIGMAR1ROCK2
SCHEMBL29614541 0.91 PTGER4 (0.51) PTGER4PTGDR2DRD4SIGMAR1ROCK2
SCHEMBL22776476 0.91 PTGER4 (0.51) PTGER4PTGDR2DRD4SIGMAR1ROCK2
SCHEMBL22791361 0.90 PTGER4 (0.45) PTGER4PTGDR2SLC6A5HCRTR1HCRTR2
SCHEMBL22791289 0.89 PTGDR2 (0.41) PTGER4PTGDR2SLC6A5DRD4SIGMAR1
SCHEMBL22791152 0.89 PTGDR2 (0.41) PTGER4PTGDR2SLC6A5DRD4SIGMAR1
SCHEMBL22791290 0.89 PTGDR2 (0.41) PTGER4PTGDR2SLC6A5DRD4SIGMAR1
SCHEMBL22776526 0.88 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
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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