Sugi Predict

Sugi Predict / Compounds / SCHEMBL7567652

SCHEMBL7567652

SCHEMBL7567652

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.58
▸ ACE P12821 9/20 0.58
▸ CPA1 P15085 2/20 0.44
▸ ACE2 Q9BYF1 2/20 0.44
▸ GPR34 Q9UPC5 5/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL7567660 1.00 MME (0.58) MMEACECPA1ACE2GPR34
SCHEMBL8450109 0.96 MME (0.52) MMEACEHDAC1HDAC6
SCHEMBL7568362 0.94 MME (0.64) MMEACECPA1ACE2GPR34
SCHEMBL7568368 0.94 MME (0.64) MMEACECPA1ACE2GPR34
SCHEMBL7568928 0.94 MME (0.64) MMEACECPA1ACE2GPR34
SCHEMBL7573628 0.91 MME (0.55) MMEACECPA1ACE2GPR34
SCHEMBL7568346 0.91 MME (0.64) MMEACECPA1ACE2
SCHEMBL7568341 0.91 MME (0.64) MMEACECPA1ACE2
SCHEMBL7573635 0.91 MME (0.55) MMEACECPA1ACE2GPR34
SCHEMBL8030172 0.90 MME (0.70) MMEACECPA1ACE2GPR34

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