SCHEMBL8089702

SCHEMBL8089702

CC(=O)NCC(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
NPC1 O15118 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
GLS O94925 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
DHFR P00374 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL640978 0.84 MTNR1A (0.58) MTNR1AMTNR1BNPC1GLSPOLB
SCHEMBL5435795 0.84 MTNR1A (0.58) MTNR1AMTNR1BNPC1GLSPOLB
SCHEMBL28302050 0.79 ACACB (0.52) MTNR1AMTNR1BNPC1ALDH1A1SMN1; SMN2
SCHEMBL28303465 0.79 ACACB (0.52) MTNR1AMTNR1BNPC1ALDH1A1SMN1; SMN2
SCHEMBL4442263 0.79 ACACB (0.52) MTNR1AMTNR1BNPC1ALDH1A1SMN1; SMN2
SCHEMBL262459 0.77 AKR1C3 (0.50) LMNAALDH1A1GAAL3MBTL1POLB
SCHEMBL2171847 0.77 AKR1C3 (0.50) LMNAALDH1A1GAAL3MBTL1POLB
SCHEMBL261617 0.77 AKR1C3 (0.50) LMNAALDH1A1GAAL3MBTL1POLB
SCHEMBL9212485 0.77 NPC1 (0.41) MTNR1AMTNR1BNPC1CNR2CNR1
SCHEMBL2684862 0.76 SLC7A5 (0.43) MTNR1AMTNR1BNPC1GLSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056773-A2 ANGIOGENESIS TARGETING MOLECULES RESOLUTION PHARMACEUTICALS INC. (CA) 2000-12-06 EP disclosed
WO-1999040947-A2 ANGIOGENESIS TARGETING MOLECULES RESOLUTION PHARMACEUTICALS INC. (CA) 1999-08-19 WO disclosed