SCHEMBL7723306

SCHEMBL7723306

NCC(C(O)c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ADRA2A P08913 5/20 0.54
HTR2A P28223 5/20 0.54
ADRA1A P35348 5/20 0.54
GRIN2B Q13224 5/20 0.54
HTR2B P41595 4/20 0.54
GRIN1 Q05586 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
GRIN2D O15399 2/20 0.54
HTR1A P08908 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2C Q14957 2/20 0.54
ADRB1 P08588 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54

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
SCHEMBL7731046 0.90 LMNA (0.56) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7734279 0.88 LMNA (0.56) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7731296 0.86 DRD4 (0.65) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7723514 0.83 HTT (0.54) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7732623 0.74 HTT (0.54) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL6427625 0.73 MAPT (0.65) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL7735957 0.73 GRIN2B (0.57) LMNAMAPK1ADRA2AHTR2AADRA1A
SCHEMBL3156396 0.72 MEN1 (0.77) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL10735593 0.71 GRIN2B (0.85) LMNAMAPK1ADRA2AHTR2AADRA1A
SCHEMBL7734180 0.71 GRIN2B (0.80) LMNAMAPK1ADRA2AHTR2AADRA1A

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