SCHEMBL27462736

SCHEMBL27462736

CC(C)N(CC(O)C(=O)OCc1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.55
MME P08473 8/20 0.55
ACE P12821 8/20 0.55
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
F2 P00734 1/20 0.45
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
POLB P06746 1/20 0.43
FCER2 P06734 1/20 0.43
CASP1 P29466 1/20 0.42

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
SCHEMBL8030684 0.95 MME (0.62) TACR1MMEACECTSLCTSB
SCHEMBL27464503 0.88 TACR1 (0.57) TACR1MMEACECTSLCTSB
SCHEMBL8016973 0.88 MME (0.53) MMEACECTSLCTSBCTSS
SCHEMBL27464097 0.88 ACE (0.52) TACR1MMEACECTSBCPA1
SCHEMBL27464504 0.85 ACE (0.60) TACR1MMEACECTSLCTSB
SCHEMBL8027283 0.84 MME (0.75) MMEACECPA1ACE2MMP9
SCHEMBL27444751 0.83 MME (0.55) TACR1MMEACECPA1ACE2
SCHEMBL27446259 0.83 OPRM1 (0.45) TACR1MMEACECTSBPOLB
SCHEMBL8017170 0.83 MME (0.61) TACR1MMEACECTSLCTSB
SCHEMBL8017176 0.82 MME (0.59) MMEACECTSBCPA1ACE2

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