Sugi Predict

Sugi Predict / Compounds / SCHEMBL8401847

SCHEMBL8401847

SCHEMBL8401847

COc1ccc(C(C(N)=O)(C(C)C)N2C(=O)C(NC(=O)Nc3cccc(C(=O)O)c3)C(=O)N(c3cccnc3)c3cc(F)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.44
▸ CCKAR P32238 5/20 0.40
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL8401920 0.93 CCKBR (0.47) CCKBRCCKAR
SCHEMBL8401850 0.80 CCKAR (0.66) CCKBRCCKAR
SCHEMBL7597322 0.79 CCKBR (0.58) CCKBRCCKAR
SCHEMBL9392486 0.74 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8519231 0.73 GAA (0.37) CCKBRCCKARRAB9A
SCHEMBL8401926 0.72 CCKAR (0.77) CCKBRCCKAR
SCHEMBL8093420 0.66 CCKBR (0.45) CCKBRCCKAR
SCHEMBL8401977 0.66 CCKAR (0.86) CCKBRCCKAR
SCHEMBL8095731 0.66 CCKBR (0.46) CCKBRCCKAR
SCHEMBL8814705 0.66 CCKAR (0.49) CCKBRCCKAR

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-0756602-B1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC (US) 1999-06-30 — — EP disclosed
EP-0756602-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1997-02-05 — — EP disclosed
WO-1995028419-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1995-10-26 — — WO disclosed