SCHEMBL6448666

SCHEMBL6448666

CCc1ccccc1CNC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.60
TACR2 P21452 3/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TACR1 P25103 1/20 0.60
CYP2C19 P33261 1/20 0.60
OPRM1 P35372 1/20 0.60
TP53 P04637 1/20 0.60
DHODH Q02127 4/20 0.58
PDE10A Q9Y233 1/20 0.58
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.47

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
SCHEMBL6449830 0.88 TACR3 (0.61) TACR3TACR2LMNACYP1A2CYP3A4
SCHEMBL6448599 0.88 ALDH1A1 (0.67) TACR3TACR2LMNACYP1A2CYP3A4
SCHEMBL6448792 0.87 LMNA (0.65) TACR3TACR2LMNAOPRM1TP53
SCHEMBL12564406 0.86 DHODH (0.65) TACR3TACR2LMNACYP1A2CYP3A4
SCHEMBL7033234 0.85 LMNA (0.60) TACR3TACR2LMNACYP1A2CYP3A4
SCHEMBL6451528 0.85 LMNA (0.66) TACR3TACR2LMNACYP1A2CYP3A4
SCHEMBL6450548 0.84 TACR3 (0.63) TACR3TACR2LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6449066 0.83 TACR3 (0.62) TACR3TACR2LMNATACR1OPRM1
SCHEMBL4667328 0.77 LMNA (0.53) TACR3TACR2LMNACYP1A2CYP3A4
SCHEMBL3870523 0.76 LMNA (0.65) TACR3TACR2LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
EP-1289560-A1 NOVEL SOLID DISPERSION COMPOSITIONS SmithKline Beecham Corporation (US) 2003-03-12 EP claimed
WO-2001095939-A1 NOVEL SOLID DISPERSION COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
EP-1289560-A1 NOVEL SOLID DISPERSION COMPOSITIONS SmithKline Beecham Corporation (US) 2003-03-12 EP disclosed
WO-2001095939-A1 NOVEL SOLID DISPERSION COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed