SCHEMBL5504331

SCHEMBL5504331

CCC(=O)Cn1cnc(-c2cccnc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.72
CYP2C9 P11712 4/20 0.72
CYP2C19 P33261 4/20 0.72
CYP3A4 P08684 4/20 0.72
CYP2E1 P05181 3/20 0.72
CYP2B6 P20813 3/20 0.72
CYP2D6 P10635 1/20 0.58
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
KMO O15229 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
TLR8 Q9NR97 1/20 0.39
FYN P06241 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5207760 0.85 CYP2A6 (0.68) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL3604362 0.84 CYP2A6 (1.00) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL28752050 0.83 CYP2A6 (0.66) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL27599853 0.82 CYP2A6 (0.65) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL8204568 0.80 CYP2A6 (0.80) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL13300562 0.80 CYP2A6 (0.74) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL12478490 0.78 CYP2A6 (0.76) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL5015514 0.77 CYP2A6 (0.70) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL6690177 0.77 CYP2A6 (0.74) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL13750026 0.77 CYP2C9 (0.74) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749832-A2 Carbamate and carbazate ketolide antibiotics Pfizer Products Incorporated (US) 2007-02-07 EP disclosed
EP-1298138-B1 Carbamate and Carbazate Ketolide Antibiotics PFIZER PROD INC (US) 2006-11-02 EP disclosed
US-6664238-B1 Such as 11-Deoxy-5-O-desosaminyl-11-(3,3-dimethyl-3-(4-pyridin-3-yl-imidazol-1-yl -propyl))hydrazo-6-O-methyl-3-oxoerythronolide A,11,12-carbamate, 9-E-(O-methyl)oxime; antibacterial and antiprotozoal agents PFIZER INC. 2003-12-16 US disclosed
EP-1298138-A1 Carbamate and Carbazate Ketolide Antibiotics Pfizer Products Inc. (US) 2003-04-02 EP disclosed
EP-1137654-A1 CARBAMATE AND CARBAZATE KETOLIDE ANTIBIOTICS Pfizer Products Inc. (US) 2001-10-04 EP disclosed
WO-2000034297-A1 CARBAMATE AND CARBAZATE KETOLIDE ANTIBIOTICS PFIZER PRODUCTS INC. (US) 2000-06-15 WO disclosed