SCHEMBL5489826

SCHEMBL5489826

[CH](CC1=NCCN1)C1=NCCN1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
ADRA2A P08913 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NISCH Q9Y2I1 6/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
HTR1D P28221 3/20 0.38
HTR1B P28222 1/20 0.37

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
SCHEMBL10494970 0.93 TAAR1 (0.36) TAAR1ADRA2ALMNACYP1A2CYP2D6
SCHEMBL1777818 0.74
SCHEMBL5330969 0.74
SCHEMBL6959924 0.74
SCHEMBL2900989 0.74
SCHEMBL167589 0.74
Hydrochloric Acid SCHEMBL10741447 0.72
SCHEMBL906626 0.70
SCHEMBL15761494 0.69 HTR1D (0.42) TAAR1ADRA2ALMNACYP1A2CYP2D6
SCHEMBL10378155 0.69 TAAR1 (0.61) TAAR1ADRA2ALMNACYP1A2CYP2D6

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
JP-2007511575-A 2007-05-10 JP claimed
EP-1687305-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP claimed
WO-2005054237-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2005-06-16 WO claimed