SCHEMBL27282129

SCHEMBL27282129

CC(Nc1ccccc1)C(=O)N(c1ccccc1)C(C)(C(=O)O)C(=O)C(N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
LTA4H P09960 1/20 0.37
CTRB1 P17538 2/20 0.36
GPR88 Q9GZN0 1/20 0.36
SLC15A1 P46059 1/20 0.36
OPRD1 P41143 4/20 0.35
OPRM1 P35372 3/20 0.35
OPRK1 P41145 1/20 0.35
LAP3 P28838 2/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL28187209 0.75 TDP1 (0.34)
SCHEMBL27518650 0.72 LMNA (0.37)
SCHEMBL12420357 0.69 ALPI (0.63) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL10057903 0.69 ALPI (0.63) ANPEPRNPEPDNPEPALPIPKM
Amphetamine SCHEMBL27710872 0.69 SLC6A2 (0.59) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL30483294 0.68 ALPI (0.61) ANPEPRNPEPDNPEPALPIPKM
Tyrosine SCHEMBL8587284 0.67 SLC7A5 (0.67) ALPIPKMPTGS1XIAPSLC7A5
Tyrosine SCHEMBL28362061 0.67 SLC7A5 (0.67) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11676639 0.66 SMN1; SMN2 (0.46)
SCHEMBL30536073 0.66 SMN1; SMN2 (0.46)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1264308-A Pharmaceutical composition for treating immunodeficiency diseases NIPPON KAYAKU KK (JP) 2000-08-23 CN disclosed
CN-1016341-B NOVEL SPERGUALIN-RELATED COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MICROBIAL CHEMICAL RESEARCHING (JP) 1992-04-22 CN disclosed
CN-87102538-A New compound relevant and preparation method thereof with spergualin 1987-11-18 CN disclosed