SCHEMBL8922047

SCHEMBL8922047

O=C1Nc2ccccc2C(c2ccccc2F)CC1Br

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CYP19A1 P11511 1/20 0.38
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PBRM1 Q86U86 1/20 0.35
PDE6D O43924 1/20 0.35

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
SCHEMBL8924450 0.83 MAPT (0.42) MAPT
SCHEMBL8400979 0.82 DDB1 (0.45) LMNAIDO1ALDH1A1MAPTMEN1
SCHEMBL8919304 0.77 HTR2A (0.40) IDO1ALDH1A1TNKS2MEN1KMT2A
SCHEMBL8920778 0.77 MAPT (0.42) LMNAIDO1ALDH1A1TNKS2CYP19A1
SCHEMBL8921094 0.76 LMNA (0.52) LMNAALDH1A1TNKS2CYP19A1MAPT
SCHEMBL8924355 0.74 SLC6A2 (0.47) LMNAMAPTMEN1KMT2A
SCHEMBL8921450 0.74 LMNA (0.44) LMNAMAPT
SCHEMBL8402167 0.71 DDB1 (0.47) ALDH1A1MAPTMEN1KMT2APBRM1
SCHEMBL8921833 0.70 HTR2A (0.39) LMNAIDO1ALDH1A1MAPTMEN1
SCHEMBL28972311 0.68 IDO1 (0.61) LMNAIDO1ALDH1A1

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 4 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