SCHEMBL7735965

SCHEMBL7735965

Nc1ccc(C(O)C(COc2ccccc2)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
GRIN2B Q13224 6/20 0.52
ADRA2A P08913 5/20 0.52
HTR2A P28223 5/20 0.52
ADRA1A P35348 5/20 0.52
HTR2B P41595 4/20 0.52
GRIN1 Q05586 4/20 0.52
SIGMAR1 Q99720 4/20 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
LMNA P02545 1/20 0.52
ADRB1 P08588 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 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
SCHEMBL7731296 0.85 DRD4 (0.65) DRD4GRIN2BADRA2AHTR2AADRA1A
SCHEMBL7735957 0.82 GRIN2B (0.57) GRIN2BADRA2AHTR2AADRA1AHTR2B
SCHEMBL7723321 0.81 DRD4 (0.46) DRD4GRIN2BADRA2AHTR2AADRA1A
SCHEMBL7734180 0.79 GRIN2B (0.80) GRIN2BADRA2AHTR2AADRA1AHTR2B
SCHEMBL7734147 0.77 CCR3 (0.49) GRIN2BADRA2AHTR2AADRA1AHTR2B
SCHEMBL7403018 0.74 DRD4 (0.61) DRD4SIGMAR1TMEM97
SCHEMBL8955934 0.73 GRIN2B (0.77) GRIN2BADRA2AHTR2AADRA1AHTR2B
Bromide SCHEMBL7398375 0.73 DRD4 (0.60) DRD4SIGMAR1TMEM97
SCHEMBL7723306 0.71 LMNA (0.55) DRD4GRIN2BADRA2AHTR2AADRA1A
SCHEMBL10729073 0.70 GRIN2B (0.76) DRD4GRIN2BADRA2AHTR2AADRA1A

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