SCHEMBL22791359

SCHEMBL22791359

CCn1nc(C(=O)N[C@H]2CC[C@H](C(=O)O[C@@H](C)c3ccccc3)CC2)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ PTGDR2 Q9Y5Y4 4/20 0.36
▸ SLC6A5 Q9Y345 2/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CCR5 P51681 1/20 0.34

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
SCHEMBL22791249 0.94 BRD4 (0.37) EPHX2PTGDR2SLC6A5KCNH2DRD4
SCHEMBL22776477 0.91 PTGER4 (0.43) EPHX2HCRTR1HCRTR2PTGDR2SLC6A5
SCHEMBL22776475 0.91 PTGER4 (0.43) EPHX2HCRTR1HCRTR2PTGDR2SLC6A5
SCHEMBL29526837 0.91 PTGER4 (0.43) EPHX2HCRTR1HCRTR2PTGDR2SLC6A5
SCHEMBL22791391 0.91 HTR4 (0.42) EPHX2BRD4
SCHEMBL22791366 0.88 PTGDR2 (0.36) EPHX2HCRTR1HCRTR2PTGDR2CCR2
SCHEMBL22791290 0.87 PTGDR2 (0.41) PTGDR2SLC6A5CCR2KCNH2DRD4
SCHEMBL22791289 0.87 PTGDR2 (0.41) PTGDR2SLC6A5CCR2KCNH2DRD4
SCHEMBL22791152 0.87 PTGDR2 (0.41) PTGDR2SLC6A5CCR2KCNH2DRD4
SCHEMBL22776479 0.85 PTGER4 (0.43) EPHX2HCRTR1HCRTR2SLC6A5DRD4

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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