SCHEMBL4425058

SCHEMBL4425058

CC(C)(C)C(C(=O)O)N1CCc2c(C(=O)NCCN(CCC(c3ccccc3)c3ccccc3)C(=O)c3ccccc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 13/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ GLP1R P43220 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GPR52 Q9Y2T5 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3169132 0.85 EPHX2 (0.40) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL3166382 0.83 PTGDR2 (0.39) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL12678724 0.82 CASR (0.43) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL4425054 0.82 GPR52 (0.36) EPHX2GPR52
SCHEMBL12678723 0.80 CASR (0.36) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL3169588 0.75 EPHX2 (0.41) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL3168994 0.71 HDAC1 (0.47) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL3159511 0.70 EPHX2 (0.51) CASREPHX2GLP1RGCGRPTGDR2
SCHEMBL3173586 0.70 MEN1 (0.49) EPHX2
SCHEMBL3175180 0.69 CREBBP (0.46) CASREPHX2GLP1RGCGRPTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO disclosed
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