SCHEMBL7566033

SCHEMBL7566033

CC(C)CN(C[C@H](CCCCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 16/20 0.69
ACE P12821 14/20 0.69
ACE2 Q9BYF1 8/20 0.50
CPA1 P15085 7/20 0.50
LPAR1 Q92633 1/20 0.48

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
SCHEMBL7566025 1.00 MME (0.69) MMEACEACE2CPA1LPAR1
SCHEMBL7565980 0.97 MME (0.70) MMEACEACE2CPA1
SCHEMBL7565973 0.97 MME (0.70) MMEACEACE2CPA1
SCHEMBL7572401 0.94 MME (0.71) MMEACEACE2CPA1
SCHEMBL7572405 0.94 MME (0.71) MMEACEACE2CPA1
SCHEMBL7568387 0.94 MME (0.71) MMEACEACE2CPA1
SCHEMBL7567269 0.94 MME (0.71) MMEACEACE2CPA1
SCHEMBL8452877 0.91 MME (0.56) MMEACEACE2CPA1LPAR1
SCHEMBL7567309 0.91 MME (0.76) MMEACEACE2CPA1
SCHEMBL7568195 0.91 MME (0.76) MMEACEACE2CPA1

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 3 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
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed