SCHEMBL8545477

SCHEMBL8545477

O=[N+]([O-])c1cccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)n[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CNR2 P34972 2/20 0.42
BCHE P06276 1/20 0.42
CNR1 P21554 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
FAAH O00519 2/20 0.40
MC4R P32245 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
GSK3B P49841 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
STAT1 P42224 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8547614 0.86 SIGMAR1 (0.55) LMNAMEN1KMT2ASIGMAR1DRD2
SCHEMBL8547895 0.84 SLC6A4 (0.45) MC4RSIGMAR1DRD2DRD4DRD3
SCHEMBL8549889 0.84 SLC6A4 (0.44) SIGMAR1DRD2DRD4DRD3HTR1A
SCHEMBL8547917 0.82 USP30 (0.41) LMNASIGMAR1MAPK1DRD2DRD4
SCHEMBL8549897 0.82 DRD2 (0.52) MAPTSIGMAR1DRD2DRD4DRD3
SCHEMBL8549271 0.82 DRD2 (0.42) MC4RSIGMAR1DRD2DRD4DRD3
SCHEMBL8546423 0.80 SNCA (0.42) LMNAMEN1KMT2AFAAHSIGMAR1
SCHEMBL8549123 0.80 DRD2 (0.42) MEN1KMT2AMC4RSIGMAR1DRD2
SCHEMBL8550715 0.80 HTR1A (0.47) MEN1KMT2AFAAHSIGMAR1DRD2
SCHEMBL8545434 0.80 DRD2 (0.40) LMNAMEN1KMT2AMAPTSIGMAR1

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-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-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