SCHEMBL9683582

SCHEMBL9683582

O=C(O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)OCC1(OC(=O)c2ccccc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.44
TACR2 P21452 1/20 0.38
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
GCGR P47871 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7322114 0.91 L3MBTL1 (0.37) MMEL1TACR2L3MBTL1
SCHEMBL7319859 0.84 L3MBTL1 (0.38) MMEL1TACR2L3MBTL1
SCHEMBL7316584 0.76 MMEL1 (0.57) MMEL1
SCHEMBL7310423 0.76 MMEL1 (0.57) MMEL1
SCHEMBL7312849 0.76 L3MBTL1 (0.37) MMEL1TACR2L3MBTL1
SCHEMBL489231 0.75 MMEL1 (0.64) MMEL1
SCHEMBL489232 0.75 MMEL1 (0.64) MMEL1
Bromide SCHEMBL9683926 0.74 MMEL1 (0.62) MMEL1
SCHEMBL7313357 0.72 MMEL1 (0.57) MMEL1L3MBTL1
SCHEMBL7309963 0.72 MMEL1 (0.52) MMEL1ADCY6ADCY3ADCY9ADCY5

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-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed