SCHEMBL27446261

SCHEMBL27446261

CC(C)CN(CC(O)C(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.70
ACE P12821 12/20 0.70
GPR34 Q9UPC5 5/20 0.48
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL8030172 1.00 MME (0.70) MMEACEGPR34CPA1ACE2
SCHEMBL27464916 0.95 MME (0.63) MMEACEGPR34
SCHEMBL27445684 0.93 MME (0.81) MMEACECPA1ACE2
SCHEMBL8032641 0.93 MME (0.81) MMEACECPA1ACE2
SCHEMBL8016985 0.93 MME (0.81) MMEACECPA1ACE2
SCHEMBL8027177 0.93 MME (0.81) MMEACECPA1ACE2
SCHEMBL8026927 0.93 MME (0.81) MMEACECPA1ACE2
SCHEMBL8029487 0.93 MME (0.81) MMEACECPA1ACE2
SCHEMBL8017006 0.93 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8017013 0.93 MME (0.80) MMEACEGPR34CPA1ACE2

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
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed