SCHEMBL8031004

SCHEMBL8031004

CCCCc1ccc2cccc(CCCN)c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.51
HTR1A P08908 2/20 0.47
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 3/20 0.42
SKP2 Q13309 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL8034939 0.96 TLR8 (0.56) TLR8HTR1AHTR1DHTR1BHTR2A
SCHEMBL8021705 0.94 TLR8 (0.55) TLR8HTR1AHTR1DHTR1BHTR2A
SCHEMBL8521394 0.93 HTR1A (0.55) TLR8HTR1AHTR1DHTR1BMTNR1A
SCHEMBL8021660 0.93 TLR8 (0.49) TLR8HTR1AHTR1DHTR1BCYP1A2
SCHEMBL11229923 0.92 MTNR1A (0.44) HTR1ACYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL15345359 0.88 TLR8 (0.49) TLR8HTR1AMTNR1A
SCHEMBL15345431 0.88 HTR1A (0.46) TLR8HTR1AHTR1DHTR1BCYP1A2
SCHEMBL8033335 0.88 TLR8 (0.47) TLR8HTR1AHTR1DHTR1BCYP1A2
SCHEMBL30589485 0.88 TLR8 (0.46) TLR8HTR1AHTR1DHTR1BMTNR1A
SCHEMBL9770069 0.86 TLR8 (0.47) TLR8HTR1AHTR1DHTR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed