SCHEMBL8399014

SCHEMBL8399014

Cc1ccc2c(c1)NC(=O)CCC2c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.55
CRBN Q96SW2 6/20 0.55
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALDH2 P05091 1/20 0.46
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.41
CYP19A1 P11511 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL8402142 0.92 THRB (0.50) DDB1CRBNTDP1L3MBTL1THRB
SCHEMBL8921539 0.89 DDB1 (0.55) DDB1CRBNTDP1L3MBTL1ALDH1A1
SCHEMBL8398464 0.85 DDB1 (0.63) DDB1CRBNTDP1L3MBTL1ALDH1A1
SCHEMBL8920781 0.83 CRBN (0.52) DDB1CRBNALDH1A1SMN1; SMN2MEN1
SCHEMBL8404669 0.83 CRBN (0.51) DDB1CRBNSMN1; SMN2SLC6A2SLC6A4
SCHEMBL3053841 0.82 DDB1 (0.65) DDB1CRBNALDH1A1SMN1; SMN2
SCHEMBL8399414 0.78 ALDH1A1 (0.44) DDB1CRBNTDP1L3MBTL1ALDH1A1
SCHEMBL8404189 0.77 CRBN (0.58) DDB1CRBNALDH1A1RAB9ASMN1; SMN2
SCHEMBL8920287 0.76 DDB1 (0.62) DDB1CRBNL3MBTL1ALDH1A1SLC6A2
SCHEMBL1387541 0.76 ALDH1A1 (0.44) DDB1CRBNTDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
EP-0711283-A1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER INC. (US) 1996-05-15 EP disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
WO-1995003281-A1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-02-02 WO 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