SCHEMBL4627494

SCHEMBL4627494

Oc1cc2c(cc1O)C(C1=NCCN1)CCC2.c1ccc2c(c1)CCCC2c1c[nH]cn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.64
ADRA2A P08913 4/20 0.64
CYP2D6 P10635 2/20 0.64
HTR1A P08908 1/20 0.64
OPRM1 P35372 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
BLM P54132 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
ALOX15 P16050 2/20 0.44
IGF1R P08069 1/20 0.44
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL8865311 0.82 ALOX15 (0.51) ADRA1AADRA2ACYP2D6ALDH1A1BLM
SCHEMBL768674 0.82 ADRA1A (0.62) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Hydrochloric Acid SCHEMBL8865276 0.81 ALOX15 (0.50) ADRA1AADRA2ACYP2D6ALDH1A1BLM
Tetrahydrozoline SCHEMBL34760 0.80 ADRA2A (1.00) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Tetrahydrozoline SCHEMBL30292036 0.80 ADRA2A (1.00) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Tetrahydrozoline SCHEMBL29603648 0.80 ADRA2A (1.00) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Tetrahydrozoline SCHEMBL23496614 0.79 CYP2D6 (1.00) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Tetrahydrozoline SCHEMBL871337 0.79 ADRA1A (0.97) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Tetrahydrozoline SCHEMBL29393067 0.79 CYP2D6 (1.00) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Tetrahydrozoline SCHEMBL25702 0.79 CYP2D6 (1.00) ADRA1AADRA2ACYP2D6HTR1AOPRM1

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-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed