SCHEMBL8937170

SCHEMBL8937170

Cc1ccc(COC(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.72
CCKBR P32239 3/20 0.65
NMBR P28336 1/20 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
SCHEMBL8200385 0.92 TACR1 (0.65) TACR1CCKBRNMBR
SCHEMBL8197980 0.87 CCKBR (0.62) TACR1CCKBRNMBR
SCHEMBL8850617 0.87 CCKBR (0.62) TACR1CCKBRNMBR
SCHEMBL8203281 0.87 CCKBR (0.67) TACR1CCKBRNMBR
SCHEMBL8203087 0.87 TACR1 (0.71) TACR1CCKBRNMBR
SCHEMBL6892425 0.86 CCKBR (0.78) CCKBRNMBR
SCHEMBL8101027 0.85 CCKBR (0.62) TACR1CCKBRNMBR
SCHEMBL8198630 0.85 CCKBR (0.65) TACR1CCKBRNMBR
SCHEMBL8197623 0.84 TACR1 (0.72) TACR1CCKBRNMBR
SCHEMBL8197613 0.84 TACR1 (0.72) TACR1CCKBRNMBR

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
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 WO claimed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 WO claimed