SCHEMBL7438201

SCHEMBL7438201

CC(Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)NCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.73
CCKBR P32239 3/20 0.60

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
SCHEMBL8101027 0.85 CCKBR (0.62) TACR1CCKBR
SCHEMBL8203281 0.85 CCKBR (0.67) TACR1CCKBR
SCHEMBL6827800 0.84 TACR1 (1.00) TACR1
SCHEMBL7847110 0.84 TACR1 (1.00) TACR1
SCHEMBL2139814 0.84 TACR1 (1.00) TACR1
SCHEMBL29870363 0.84 TACR1 (1.00) TACR1
SCHEMBL8790098 0.84 TACR1 (0.84) TACR1
SCHEMBL8937170 0.83 TACR1 (0.72) TACR1CCKBR
SCHEMBL8850617 0.82 CCKBR (0.62) TACR1CCKBR
SCHEMBL8197980 0.82 CCKBR (0.62) TACR1CCKBR

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-1233766-A1 USE OF SYNERGISTIC COMBINATIONS OF A NK 1? RECEPTOR ANTAGONIST AND A GABA ANALOG IN PSYCHIATRIC DISORDERS WARNER-LAMBERT COMPANY (US) 2002-08-28 EP disclosed
WO-2001024791-A1 USE OF SYNERGISTIC COMBINATIONS OF A NK1 RECEPTOR ANTAGONIST AND A GABA ANALOG IN PSYCHIATRIC DISORDERS WARNER-LAMBERT COMPANY (US) 2001-04-12 WO disclosed