SCHEMBL4629569

SCHEMBL4629569

Clc1ccccc1CC1=NCCN1.Nc1ccc(CC2=NCCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.61
▸ TAAR1 Q96RJ0 7/20 0.57
▸ ADRA2B P18089 4/20 0.57
▸ ADRA2C P18825 4/20 0.57
▸ CYP2D6 P10635 3/20 0.57
▸ ADRA2A P08913 3/20 0.57
▸ ADRA1A P35348 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ ADRA1D P25100 2/20 0.57
▸ ADRA1B P35368 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HTR1D P28221 5/20 0.55
▸ HTR1B P28222 2/20 0.55
▸ MAPK1 P28482 2/20 0.50
▸ NISCH Q9Y2I1 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ NFKB1 P19838 1/20 0.50

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
SCHEMBL954827 0.87 TAAR1 (0.68) TAAR1ADRA2BADRA2CCYP2D6ADRA2A
SCHEMBL953972 0.84 RAD52 (0.82) RAD52TAAR1ADRA2BADRA2CCYP2D6
SCHEMBL21186239 0.76 ALDH1A1 (0.52) TAAR1LMNATSHRMAOAMAOB
Nemazoline SCHEMBL4629757 0.76 TAAR1 (0.50) RAD52TAAR1ADRA2BADRA2CCYP2D6
SCHEMBL952423 0.76 TAAR1 (0.69) TAAR1ADRA2BADRA2CCYP2D6ADRA2A
SCHEMBL4036373 0.75 RAD52 (0.68) RAD52TAAR1ADRA2BADRA2CCYP2D6
Nemazoline SCHEMBL4630344 0.75 HTR1B (0.49) TAAR1ADRA2BADRA2CCYP2D6ADRA2A
SCHEMBL2869241 0.75 HTR1D (0.69) RAD52TAAR1ADRA2BADRA2CCYP2D6
Tolazoline SCHEMBL34961 0.75 TAAR1 (1.00) RAD52TAAR1ADRA2BADRA2CCYP2D6
SCHEMBL4629571 0.74 TAAR1 (0.48) RAD52TAAR1ADRA2BADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO disclosed
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