SCHEMBL8921364

SCHEMBL8921364

ICC(c1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
IDO1 P14902 2/20 0.49
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL966816 0.81 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2085660 0.81 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL1005727 0.81 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2465315 0.81 PKM (0.62) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL3121803 0.81 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL10453959 0.79 MEN1 (0.53) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2467478 0.79 MEN1 (0.53) MEN1KMT2APKMCTDSP1IDO1
Hydrochloric Acid SCHEMBL30982202 0.79 MEN1 (0.56) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL3966889 0.79 MEN1 (0.53) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL7428096 0.78 MEN1 (0.55) MEN1KMT2APKMCTDSP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1074903-A The six hydrogen azepine  ketone and the tetrahydro benzo azepine  ketone that replace PFIZER (US) 1993-08-04 CN disclosed