SCHEMBL27464503

SCHEMBL27464503

CN(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.57
MME P08473 7/20 0.54
ACE P12821 7/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
F2 P00734 1/20 0.46
POLB P06746 1/20 0.44
FCER2 P06734 1/20 0.44
CASP1 P29466 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 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
SCHEMBL8017170 0.95 MME (0.61) TACR1MMEACECTSLCTSB
SCHEMBL27444764 0.92 HDAC1 (0.50) TACR1MMEACECTSLCTSB
SCHEMBL27464504 0.89 ACE (0.60) TACR1MMEACECTSLCTSB
SCHEMBL27462736 0.88 TACR1 (0.55) TACR1MMEACECTSLCTSB
SCHEMBL8450193 0.87 TACR1 (0.52) TACR1MMEACECTSLCTSB
SCHEMBL8028778 0.87 MME (0.52) MMEACE
SCHEMBL27446786 0.87 ACE (0.51) TACR1MMEACECTSLCTSB
SCHEMBL8027188 0.84 ACE (0.67) TACR1MMEACECTSLCTSB
SCHEMBL8027264 0.84 ACE (0.74) MMEACEMMP9MMP8
SCHEMBL8030684 0.83 MME (0.62) TACR1MMEACECTSLCTSB

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