SCHEMBL13706602

SCHEMBL13706602

O=C(NCC(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C1CC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
PREP P48147 2/20 0.53
PSMB9 P28065 2/20 0.51
CTRB1 P17538 1/20 0.51
CALCRL Q16602 2/20 0.48
RAMP1 O60894 1/20 0.48
CMA1 P23946 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
REN P00797 1/20 0.46

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
SCHEMBL13706598 0.93 ACE (0.53) ACEPREPPSMB9CTRB1CALCRL
SCHEMBL27809460 0.92 ACE (0.57) ACEPREPPSMB9CTRB1CALCRL
SCHEMBL8257806 0.91 ACE (0.53) ACEPREPPSMB9CTRB1CALCRL
Carbon Dioxide SCHEMBL2247895 0.90 PREP (0.55) ACEPREPPSMB9CTRB1CALCRL
SCHEMBL2249471 0.90 ACE (0.55) ACEPREPPSMB9CTRB1CALCRL
SCHEMBL2249479 0.90 ACE (0.55) ACEPREPPSMB9CTRB1CALCRL
SCHEMBL2251300 0.87 ACE (0.54) ACEPREPPSMB9CTRB1CMA1
SCHEMBL8257798 0.87 ACE (0.54) ACEPREPPSMB9CTRB1CMA1
SCHEMBL2249474 0.87 ACE (0.54) ACEPREPPSMB9CTRB1CMA1
SCHEMBL8259054 0.87 ACE (0.54) ACEPREPPSMB9CTRB1CMA1

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
US-7589066-B2 Such as N-carbobenzyloxy-phenylalanyl-phenylalanylal; for treating cancer, inflammation, and/or autoimmune diseases; suppresses endogenous antigenic peptide generation THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-09-15 US disclosed