SCHEMBL1388772

SCHEMBL1388772

Cc1c(C2CCN(Cc3ccco3)CC2)n[nH]c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.47
DRD2 P14416 5/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1388392 0.80 DRD4 (0.60) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL1388702 0.78 DRD4 (0.66) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL1388459 0.75 ALDH1A1 (0.45) TRPV6DRD2DRD4DRD3ALDH1A1
SCHEMBL1388764 0.72 DRD2 (0.57) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL1388752 0.72 SIGMAR1 (0.55) DRD2DRD4DRD3ALDH1A1SIGMAR1
SCHEMBL1388420 0.71 DRD4 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL8308786 0.70 DRD4 (0.43) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL14375212 0.68 ACHE (0.54) TRPV6ALDH1A1MEN1LMNAKMT2A
SCHEMBL8593975 0.68 DRD4 (0.50) TRPV6DRD2DRD4DRD3MEN1
SCHEMBL13375739 0.66 TRPV6 (0.50) TRPV6ALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 EP claimed
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
JP-H08502508-A 1996-03-19 JP claimed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 EP claimed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 WO claimed
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 EP disclosed
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
US-5631269-A Dopamine receptor subtype ligands MERCK SHARP & DOHME LIMITED (GB) 1997-05-20 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO disclosed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 EP disclosed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 WO disclosed