SCHEMBL27444751

SCHEMBL27444751

CC(C)N(CC(O)C(=O)OCc1ccccc1)C(=O)NC(Cc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.55
ACE P12821 2/20 0.55
TACR1 P25103 1/20 0.55
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CASP3 P42574 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CASP1 P29466 4/20 0.43
PSMB5 P28074 2/20 0.42
MMP9 P14780 2/20 0.42
REN P00797 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
FNTA P49354 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
SCHEMBL8028696 0.96 MME (0.60) MMEACETACR1OPRM1OPRD1
SCHEMBL27547830 0.88 TACR1 (0.57) MMEACETACR1CASP3HRH4
SCHEMBL27446259 0.86 OPRM1 (0.45) MMEACETACR1OPRM1OPRD1
SCHEMBL27445689 0.85 ACE (0.58) MMEACETACR1CASP3HRH4
SCHEMBL8030487 0.84 ACE (0.74) MMEACEOPRM1OPRD1OPRK1
SCHEMBL27464096 0.84 MME (0.68) MMEACETACR1CASP3HRH4
SCHEMBL8029478 0.84 MME (0.59) MMEACETACR1CASP3HRH4
SCHEMBL8027391 0.83 MME (0.80) MMEACETACR1CASP3HRH4
SCHEMBL27446785 0.83 MME (0.80) MMEACETACR1CASP3HRH4
SCHEMBL8027402 0.83 ACE (0.48) MMEACEOPRM1OPRD1OPRK1

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