SCHEMBL7849676

SCHEMBL7849676

CC(=O)NCc1c(-c2ccc3c(c2)OC=CO3)coc1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.38
MTNR1B P49286 8/20 0.38
PTGIR P43119 6/20 0.36
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KLKB1 P03952 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL6076259 0.64 MTNR1A (0.44) MTNR1AMTNR1BPTGIR
SCHEMBL97001 0.61 KMT2A (0.68) POLB
SCHEMBL3323001 0.61 KMT2A (0.61) POLB
Acetic Acid SCHEMBL10568555 0.60 KMT2A (0.66) POLB
Bromide SCHEMBL30703423 0.60 KMT2A (0.66) POLB
Hydrochloric Acid SCHEMBL27905582 0.60 KMT2A (0.66) POLB
SCHEMBL5801663 0.59 KMT2A (0.65) NPC1POLB
N-Benzylmethylamine SCHEMBL2561295 0.59 MAPT (0.63) POLB
SCHEMBL7202107 0.59 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6077132 0.59 MTNR1A (0.52) MTNR1AMTNR1BNPC1

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-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO disclosed