SCHEMBL7731046

SCHEMBL7731046

O=[N+]([O-])c1ccc(C(O)C(CO)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
DRD4 P21917 1/20 0.54
ADRA2A P08913 5/20 0.52
HTR2A P28223 5/20 0.52
ADRA1A P35348 5/20 0.52
GRIN2B Q13224 5/20 0.52
HTR2B P41595 4/20 0.52
GRIN1 Q05586 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
GRIN2D O15399 2/20 0.52
HTR1A P08908 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2C Q14957 2/20 0.52
ADRB1 P08588 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL7723306 0.90 LMNA (0.55) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7734279 0.89 LMNA (0.56) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7731296 0.87 DRD4 (0.65) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7723514 0.84 HTT (0.54) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL6427625 0.74 MAPT (0.65) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL3156396 0.73 MEN1 (0.77) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7732623 0.72 HTT (0.54) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL17628468 0.72 KMT2A (0.70) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7735957 0.71 GRIN2B (0.57) LMNAMAPK1ADRA2AHTR2AADRA1A
SCHEMBL7736139 0.71 GRIN2B (0.44) LMNAMAPTSMN1; SMN2ADRA2AHTR2A

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