SCHEMBL7544832

SCHEMBL7544832

CC(=O)NCC1CC(c2ccccc2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MTNR1B P49286 11/20 0.40
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.36
CTRC Q99895 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
SCHEMBL7611302 0.86 MTNR1A (0.42) MTNR1ASMN1; SMN2HPGDRAB9A
SCHEMBL7121703 0.86 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL7508213 0.86 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL8655361 0.81 HTR2A (0.46)
SCHEMBL8658395 0.80 MAOB (0.52)
SCHEMBL13855695 0.80 GFER (0.44) MTNR1ASMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL576925 0.77 KMT2A (0.41) SMN1; SMN2CTRC
SCHEMBL25608600 0.77 PTGS2 (0.39) HPGDCTRC
SCHEMBL8655145 0.77 MEN1 (0.43) SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL8451797 0.77 MAPKAPK2 (0.39) MTNR1A

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
EP-0912561-B1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-12-04 EP disclosed