SCHEMBL7754058

SCHEMBL7754058

CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(-c3nnn[nH]3)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 12/20 0.74
CCKBR P32239 12/20 0.74

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
SCHEMBL1387798 0.86 CCKBR (0.70) CCKBR
SCHEMBL23777550 0.85 CCKAR (1.00) CCKARCCKBR
SCHEMBL29440045 0.85 CCKAR (1.00) CCKARCCKBR
SCHEMBL3890199 0.85 CCKAR (1.00) CCKARCCKBR
SCHEMBL7747691 0.85 CCKBR (1.00) CCKARCCKBR
SCHEMBL8540475 0.83 CCKBR (0.51) CCKARCCKBR
SCHEMBL1387823 0.83 CCKBR (0.70) CCKARCCKBR
SCHEMBL8401926 0.75 CCKAR (0.77) CCKARCCKBR
SCHEMBL8806407 0.74 CCKAR (0.79) CCKARCCKBR
SCHEMBL8401977 0.74 CCKAR (0.86) CCKARCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed
WO-1994024149-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 WO disclosed