SCHEMBL8949377

SCHEMBL8949377

Cc1cnc(Cc2ccccc2)n1CCCNC(C)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
ATP1A1 P05023 2/20 0.39
ATP1B1 P05026 2/20 0.39
ATP1A3 P13637 2/20 0.39
ATP1B2 P14415 2/20 0.39
ATP1A2 P50993 2/20 0.39
ATP1B3 P54709 2/20 0.39
FXYD2 P54710 2/20 0.39
ATP1A4 Q13733 2/20 0.39
SCN8A Q9UQD0 1/20 0.38
S1PR1 P21453 1/20 0.37
PDE1C Q14123 4/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PDE1B Q01064 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL8443385 0.84 ATP1A1 (0.46) HTR1AHTR7HTR6ATP1A1ATP1B1
SCHEMBL8949346 0.81 TMEM97 (0.46) SCN8ACHRM2LMNASMN1; SMN2
SCHEMBL8949255 0.79 HTR1A (0.43) HTR1AHTR7HTR6ATP1A1ATP1B1
SCHEMBL8445852 0.74 SMN1; SMN2 (0.42) HTR6CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL15131051 0.72 SIGMAR1 (0.55) HTR1AHTR7HTR6ALDH1A1SMN1; SMN2
SCHEMBL8444036 0.70 ATP1A1 (0.46) HTR1AHTR7HTR6ATP1A1ATP1B1
SCHEMBL8443080 0.70 HTR1A (0.39) HTR1AHTR7HTR6ATP1A1ATP1B1
SCHEMBL8446202 0.70 QPCT (0.47)
Hydrochloric Acid SCHEMBL8444345 0.69 ATP1A1 (0.45) HTR1AHTR7HTR6ATP1A1ATP1B1
SCHEMBL8443907 0.68 ATP1A1 (0.41) HTR1AHTR7HTR6ATP1A1ATP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US claimed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed