SCHEMBL8547614

SCHEMBL8547614

O=[N+]([O-])c1cccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
DRD4 P21917 8/20 0.54
DRD2 P14416 7/20 0.54
DRD3 P35462 5/20 0.54
HTR2A P28223 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRCP P42785 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL8545477 0.86 LMNA (0.43) SIGMAR1DRD4DRD2DRD3LMNA
SCHEMBL8548112 0.83 DRD4 (0.59) DRD4DRD2DRD3HTR2AMEN1
SCHEMBL8547716 0.80 DRD2 (0.56) SIGMAR1DRD4DRD2DRD3HTR2A
SCHEMBL1388360 0.79 DRD4 (0.70) DRD4DRD2DRD3ALDH1A1MEN1
SCHEMBL1388810 0.78 MAPK1 (0.58) SIGMAR1DRD4DRD2DRD3LMNA
SCHEMBL7956147 0.76 HTR2A (0.72) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL1388548 0.75 DRD4 (0.69) DRD4DRD2DRD3PRCP
SCHEMBL1388551 0.74 DRD4 (0.70) SIGMAR1DRD4DRD2DRD3HTR2A
SCHEMBL1388650 0.73 DRD4 (0.71) SIGMAR1DRD4DRD2DRD3ALDH1A1
SCHEMBL7948628 0.72 HTR2A (0.72) SIGMAR1DRD2HTR2AMEN1KMT2A

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-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP claimed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP claimed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO claimed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP disclosed
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO disclosed