SCHEMBL7041081

SCHEMBL7041081

CC(C)N1C=CC(=O)N(C(C)C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FAAH O00519 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TLR9 Q9NR96 1/20 0.36
USP2 O75604 1/20 0.33
CDYL Q9Y232 2/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30

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
SCHEMBL7854693 0.78 SMN1; SMN2 (0.37) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL5000976 0.71 SMN1; SMN2 (0.46) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL30396025 0.71 SMN1; SMN2 (0.46) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL7041525 0.70 MGLL (0.39) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL7039711 0.69 SMN1; SMN2 (0.38) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL4415354 0.67 SMN1; SMN2 (0.57) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL7688831 0.67 SMN1; SMN2 (0.57) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL28755272 0.67 FAAH (0.34) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9
SCHEMBL29017 0.66 MGLL (0.45) MGLLSMN1; SMN2FAAHTLR9ALDH1A1
SCHEMBL4415567 0.64 SMN1; SMN2 (0.42) MGLLSMN1; SMN2FAAHCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833819-B1 NOVEL N-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 2003-03-26 EP disclosed
EP-0833819-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 1998-11-11 EP disclosed
EP-0833819-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES Merck & Co., Inc. (US) 1998-04-08 EP disclosed
US-5691332-A N-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-3-amides MERCK & CO., INC. (US) 1997-11-25 US disclosed
WO-1996040656-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed