SCHEMBL7734147

SCHEMBL7734147

Nc1ccc(C(O)C(CNC(=O)c2ccccc2)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.49
GMNN O75496 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
ADRA2A P08913 5/20 0.48
HTR2A P28223 5/20 0.48
ADRA1A P35348 5/20 0.48
GRIN2B Q13224 5/20 0.48
HTR2B P41595 4/20 0.48
GRIN1 Q05586 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
GRIN2D O15399 2/20 0.48
HTR1A P08908 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2C Q14957 2/20 0.48
LMNA P02545 1/20 0.48
ADRB1 P08588 1/20 0.48

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
SCHEMBL7723514 0.87 HTT (0.54) CCR3GMNNPMP22NPSR1GAA
SCHEMBL7732339 0.83 CYP2C9 (0.49) CCR3GAALMNARAB9ACYP3A4
SCHEMBL7735957 0.79 GRIN2B (0.57) GMNNPMP22NPSR1GAAADRA2A
SCHEMBL7735965 0.77 DRD4 (0.56) GMNNPMP22NPSR1GAAADRA2A
SCHEMBL7734180 0.76 GRIN2B (0.80) GMNNPMP22NPSR1GAAADRA2A
SCHEMBL5758650 0.72 CCR3 (0.60) CCR3SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7734159 0.72 KCNH2 (0.45) CCR3GRIN2BGRIN1KCNH2MEN1
SCHEMBL5165726 0.71 FAAH (0.60) MEN1KMT2A
SCHEMBL7723306 0.70 LMNA (0.55) GMNNPMP22NPSR1GAAADRA2A
SCHEMBL10735389 0.69 GRIN2B (0.67) GMNNPMP22NPSR1GAAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407122-B1 NEUROPROTECTIVE AGENTS, ANTIISCHEMIC, AND HYPERGLYCEMIC AGENTS; HUNTINGTON*S, PARKINSON*S, AND ALZHEIMER*S DISEASE;AMYOTROPHIC LATERAL SCLEROSIS TREATMENT; NERVOUS SYSTEM AND BRAIN DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2002-06-18 US disclosed
EP-1037890-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-27 EP disclosed
WO-1999028318-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO disclosed