SCHEMBL7445828

SCHEMBL7445828

CC(C)(C)OC(=O)C(N)(CCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.44
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CES1 P23141 4/20 0.40
FAAH O00519 3/20 0.40
POLB P06746 1/20 0.40
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.39
FDPS P14324 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL27590207 0.84 CYP2C19 (0.38) MAPTLMNAL3MBTL1SIGMAR1
SCHEMBL7201704 0.82 CYP2C19 (0.42) MAPTRXFP1
SCHEMBL9296370 0.81 GRM2 (0.47) LTB4RGRM2GRM3MAPTRXFP1
SCHEMBL7077556 0.80 CYP2C19 (0.42) MAPTLMNASIGMAR1
SCHEMBL6704312 0.80 CYP2C19 (0.42) MAPT
SCHEMBL28356647 0.80 CYP2C19 (0.42) MAPT
SCHEMBL5393356 0.80 GRM2 (0.54) LTB4RGRM2GRM3MAPTRXFP1
SCHEMBL9543954 0.79 CYP2C19 (0.45) MAPT
SCHEMBL28750864 0.79 CYP2C19 (0.41) MAPTLMNASIGMAR1
Ammonia Solution, Strong SCHEMBL28873439 0.79 CYP2C19 (0.41) MAPTPOLBLMNA

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-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO disclosed