SCHEMBL27464504

SCHEMBL27464504

O=C(OCc1ccccc1)C(O)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.60
MME P08473 8/20 0.58
TACR1 P25103 2/20 0.53
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
F2 P00734 1/20 0.45
PTGES O14684 1/20 0.43
CASP1 P29466 1/20 0.43
MC4R P32245 2/20 0.42
MC5R P33032 2/20 0.42
MC3R P41968 2/20 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
SCHEMBL8027188 0.95 ACE (0.67) ACEMMETACR1CTSLCTSB
SCHEMBL27463686 0.92 ACE (0.52) ACEMMETACR1CTSLCTSB
SCHEMBL27464503 0.89 TACR1 (0.57) ACEMMETACR1CTSLCTSB
SCHEMBL8449552 0.88 ACE (0.50) ACEMMETACR1CTSLCTSB
SCHEMBL8027149 0.88 ACE (0.58) ACEMME
SCHEMBL27446254 0.87 ACE (0.55) ACEMMETACR1CTSBPTGES
SCHEMBL8029487 0.85 MME (0.81) ACEMMETACR1CTSLCTSB
SCHEMBL8026927 0.85 MME (0.81) ACEMMETACR1CTSLCTSB
SCHEMBL8016985 0.85 MME (0.81) ACEMMETACR1CTSLCTSB
SCHEMBL8032641 0.85 MME (0.81) ACEMMETACR1CTSLCTSB

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