SCHEMBL5557428

SCHEMBL5557428

O=C(CCc1cccnc1)NCCCCC1CCN(CCCCC2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD3 P35462 5/20 0.48
PTAFR P25105 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.44
CCR3 P51677 1/20 0.44
ALDH1A1 P00352 1/20 0.44
C3AR1 Q16581 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL81910 0.95 PTAFR (0.50) PTAFRLMNAALDH1A1C3AR1CYP1A2
SCHEMBL81394 0.94 PTAFR (0.49) PTAFRLMNAALDH1A1C3AR1CYP1A2
SCHEMBL82430 0.94 PTAFR (0.49) PTAFRLMNAALDH1A1C3AR1CYP1A2
SCHEMBL3079286 0.93 PTAFR (0.48) PTAFRLMNAALDH1A1C3AR1CYP1A2
SCHEMBL83930 0.92 LMNA (0.49) PTAFRLMNAALDH1A1C3AR1CYP1A2
SCHEMBL82722 0.90 PTAFR (0.56) PTAFRLMNAALDH1A1C3AR1CYP3A4
SCHEMBL3458346 0.90 DRD2 (0.54) DRD2DRD3PTAFRALOX5ALDH1A1
SCHEMBL83847 0.89 LMNA (0.51) PTAFRLMNAALDH1A1C3AR1CYP1A2
SCHEMBL5557508 0.85 NAMPT (0.47) PTAFRLMNACCR3ALDH1A1C3AR1
SCHEMBL83006 0.85 ACHE (0.57) PTAFRLMNACYP1A2CYP3A4CYP2C9

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-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP claimed
JP-2002537380-A 2002-11-05 JP claimed
EP-1154998-A1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY Klinge Pharma GmbH (DE) 2001-11-21 EP claimed
WO-2000050399-A1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY KLINGE PHARMA GMBH (DE) 2000-08-31 WO claimed
EP-1031564-A1 Inhibitors of cellular nicotinamide mononucleotide formation and their use in cancer therapy Klinge Pharma GmbH (DE) 2000-08-30 EP claimed
EP-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP disclosed
EP-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP disclosed
EP-1816124-A2 Inhibitors of cellular niacinamide mononucleotide formation and their use in cancer therapy Astellas Deutschland GmbH (DE) 2007-08-08 EP disclosed