SCHEMBL7572248

SCHEMBL7572248

CC(C)CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.66
ACE P12821 8/20 0.66
HRH4 Q9H3N8 1/20 0.47
TACR1 P25103 1/20 0.46
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
REN P00797 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
NMBR P28336 1/20 0.40

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
SCHEMBL7572242 1.00 MME (0.66) MMEACEHRH4TACR1CPA1
SCHEMBL8446385 0.96 MME (0.60) MMEACEHRH4TACR1CPA1
SCHEMBL7567827 0.91 MME (0.73) MMEACEHRH4CPA1ACE2
SCHEMBL7567832 0.91 MME (0.73) MMEACEHRH4CPA1ACE2
SCHEMBL7568400 0.89 MME (0.52) MMEACECPA1ACE2KMT2A
SCHEMBL7568408 0.89 MME (0.52) MMEACECPA1ACE2KMT2A
SCHEMBL27446785 0.89 MME (0.80) MMEACEHRH4TACR1CPA1
SCHEMBL8027391 0.89 MME (0.80) MMEACEHRH4TACR1CPA1
SCHEMBL7573635 0.87 MME (0.55) MMEACECPA1ACE2
SCHEMBL7573628 0.87 MME (0.55) MMEACECPA1ACE2

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