SCHEMBL7570085

SCHEMBL7570085

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(Cl)ccc1-c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.47
ACE P12821 7/20 0.47
CTSB P07858 1/20 0.42
CCKBR P32239 1/20 0.41
GPR34 Q9UPC5 3/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL7573605 0.91 MME (0.47) MMEACECTSB
SCHEMBL7573789 0.90 MME (0.46) MMEACECTSB
SCHEMBL7573305 0.90 MME (0.45) MMEACECTSBGPR34FFAR1
SCHEMBL7565209 0.89 MME (0.46) MMEACECTSB
SCHEMBL7566385 0.88 MME (0.52) MMEACEFFAR1FFAR4
SCHEMBL7565217 0.87 ITGA4 (0.44) MMEACECTSB
SCHEMBL7567698 0.84 MME (0.59) MMEACECTSBGPR34
SCHEMBL7574613 0.83 MME (0.55) MMEACECTSBGPR34
SCHEMBL7574618 0.83 MME (0.55) MMEACECTSBGPR34
SCHEMBL7568360 0.82 MME (0.66) MMEACECTSBGPR34

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-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed