SCHEMBL8400979

SCHEMBL8400979

O=C1Nc2ccccc2C(c2ccccc2)CC1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDO2 P48775 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
GSK3B P49841 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 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
SCHEMBL8919304 0.88 HTR2A (0.40) IDO1ALDH1A1MEN1KMT2A
SCHEMBL8920778 0.88 MAPT (0.42) DDB1CRBNIDO1ALDH1A1KDM4E
SCHEMBL8924450 0.88 MAPT (0.42) MAPTTDP1
SCHEMBL8921450 0.85 LMNA (0.44) LMNAMAPT
SCHEMBL8919347 0.83 MEN1 (0.44) DDB1CRBNALDH1A1MEN1MAPT
SCHEMBL8399414 0.83 ALDH1A1 (0.44) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL8923872 0.83 ATM (0.45) DDB1CRBNMEN1LMNAMAPT
SCHEMBL8924355 0.82 SLC6A2 (0.47) MEN1LMNAMAPTKMT2A
SCHEMBL8922047 0.82 LMNA (0.41) IDO1ALDH1A1MEN1LMNAMAPT
SCHEMBL9041157 0.81 DDB1 (0.41) DDB1CRBNIDO1ALDH1A1KDM4E

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 8 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
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 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