SCHEMBL8921167

SCHEMBL8921167

COc1cccc(NC(=O)NC2CCCC(C3CCCCC3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.62
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL8919495 0.90 CCKBR (0.61) CCKBRNPC1RAB9A
SCHEMBL8922636 0.89 CCKBR (0.52) CCKBRNPC1RAB9AMEN1KMT2A
SCHEMBL8920692 0.88 CCKBR (0.57) CCKBRNPC1RAB9A
SCHEMBL8975506 0.88 EPHX2 (0.51) CCKBRRAB9AALDH1A1MEN1KMT2A
SCHEMBL8920745 0.87 CCKBR (0.65) CCKBRNPC1RAB9AMAPTALDH1A1
SCHEMBL8922641 0.85 CCKBR (0.49) CCKBRNPC1RAB9AMAPTALDH1A1
SCHEMBL8924344 0.85 CCKBR (0.48) CCKBRNPC1RAB9AMAPTALDH1A1
SCHEMBL9362966 0.84 CCKBR (0.50) CCKBRNPC1RAB9AMAPTALDH1A1
SCHEMBL9362060 0.83 CCKBR (0.49) CCKBRNPC1RAB9AMAPTALDH1A1
SCHEMBL8920813 0.80 CCKBR (0.61) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP claimed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed