SCHEMBL6448792

SCHEMBL6448792

CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccccc1CC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
TP53 P04637 1/20 0.65
TACR3 P29371 13/20 0.63
TACR2 P21452 3/20 0.55
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE10A Q9Y233 1/20 0.49
PTGFR P43088 1/20 0.48
OPRM1 P35372 1/20 0.47
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
SCHEMBL6451528 0.93 LMNA (0.66) LMNATP53TACR3TACR2ALDH1A1
SCHEMBL6448599 0.87 ALDH1A1 (0.67) LMNATP53TACR3TACR2ALDH1A1
SCHEMBL6449830 0.87 TACR3 (0.61) LMNATP53TACR3TACR2ALDH1A1
SCHEMBL6448666 0.87 TACR3 (0.60) LMNATP53TACR3TACR2ALDH1A1
Hydrochloric Acid SCHEMBL6449066 0.87 TACR3 (0.62) LMNATP53TACR3TACR2ALDH1A1
SCHEMBL6450548 0.83 TACR3 (0.63) LMNATP53TACR3TACR2ALDH1A1
SCHEMBL8619778 0.79 TACR3 (0.63) LMNATP53TACR3TACR2PDE10A
SCHEMBL6448671 0.77 TACR3 (1.00) TP53TACR3TACR2ALDH1A1OPRM1
SCHEMBL6450716 0.77 TACR3 (1.00) TP53TACR3TACR2ALDH1A1OPRM1
SCHEMBL8226622 0.75 ALDH1A1 (0.64) LMNATP53TACR3TACR2ALDH1A1

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 4 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-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