SCHEMBL11227664

SCHEMBL11227664

C#CC(C=CCNC(C)=O)(NC(C)=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11240400 0.86
SCHEMBL11240399 0.84 MTNR1A (0.30) MTNR1AMTNR1B
SCHEMBL11227695 0.82 L3MBTL1 (0.32) L3MBTL1
SCHEMBL11235005 0.77 MTNR1A (0.32) MTNR1AMTNR1B
Bromide SCHEMBL11241577 0.76 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL11231653 0.75 KDM4E (0.33) L3MBTL1
SCHEMBL11242067 0.69
SCHEMBL13397644 0.67 KDM4E (0.46) MTNR1AMTNR1B
SCHEMBL11240377 0.66 PKM (0.42) L3MBTL1
SCHEMBL11232177 0.65

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
US-4323704-A ENZYME INHIBITORS USEFUL AGAINST BACTERIA, FUNGUS AND VIRAL INFECTIONS, MALE ANTIFERTILITY AGENTS, IMMUNO-SUPPRESSANTS, AND ANTITUMOR ACTIVITY MERRELL TORAUDE ET COMPAGNIE (FR) 1982-04-06 US disclosed
US-4267374-A BACTERICIDES; VIRICIDES; FUNGICIDES; INHIBITORS OF HYDROLASE ENZYMES; INTERMEDIATE FOR CEPHALOSPORIN COMPOUND MERRELL TORAUDE ET COMPAGNIE (FR) 1981-05-12 US disclosed