SCHEMBL7567320

SCHEMBL7567320

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.66
ACE P12821 8/20 0.66
HRH4 Q9H3N8 1/20 0.47
TACR1 P25103 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CTSB P07858 1/20 0.46
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.41
PSMB5 P28074 1/20 0.41
REN P00797 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL8449475 0.95 MME (0.60) MMEACEHRH4TACR1CPA1
SCHEMBL7567288 0.88 MME (0.53) MMEACECTSB
SCHEMBL8027391 0.88 MME (0.80) MMEACEHRH4TACR1CPA1
SCHEMBL27446785 0.88 MME (0.80) MMEACEHRH4TACR1CPA1
SCHEMBL7568978 0.87 MME (0.78) MMEACEHRH4CPA1ACE2
SCHEMBL7567634 0.87 MME (0.49) MMEACECTSBCASP1
SCHEMBL7574571 0.86 MME (0.49) MMEACECTSBCASP1
SCHEMBL7574270 0.85 MME (0.70) MMEACETACR1CPA1ACE2
SCHEMBL7574618 0.85 MME (0.55) MMEACECPA1ACE2CTSB
SCHEMBL7574613 0.85 MME (0.55) MMEACECPA1ACE2CTSB

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