SCHEMBL8893578

SCHEMBL8893578

CC(Cc1c[nH]c2ccccc12)(NC(=O)NS(=O)(=O)O)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.51
TACR3 P29371 1/20 0.51
NMBR P28336 1/20 0.47
CCKBR P32239 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
SCHEMBL8892928 0.88 TACR1 (0.57) TACR1TACR3
SCHEMBL8894222 0.85 TACR1 (0.48) TACR1TACR3
SCHEMBL8894671 0.83 NMBR (0.71) TACR1TACR3NMBR
SCHEMBL8892775 0.83 NMBR (0.71) TACR1TACR3NMBR
SCHEMBL8894285 0.83 NMBR (0.71) TACR1TACR3NMBR
SCHEMBL8894105 0.83 TACR1 (0.51) TACR1TACR3
SCHEMBL9293660 0.81 TACR1 (0.48) TACR1TACR3
SCHEMBL8893069 0.79 TACR1 (0.44) TACR1TACR3
SCHEMBL6888854 0.77 TACR1 (0.46) TACR1TACR3
SCHEMBL9293320 0.76 TACR1 (0.45) TACR1TACR3

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
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed