SCHEMBL4630163

SCHEMBL4630163

CCc1ccc(Cl)c(CC)c1CC1(C2(Cc3c(Cl)cccc3I)NCCN2)NCCN1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL4629089 0.81 HTR2A (0.31)
SCHEMBL4630162 0.74 TAAR1 (0.61) TAAR1
SCHEMBL14370502 0.71 TAAR1 (0.41) TAAR1
SCHEMBL4630003 0.69 P2RX7 (0.36) TAAR1
SCHEMBL4629861 0.69 LMNA (0.38)
SCHEMBL8089494 0.67 CTRC (0.40)
SCHEMBL4629682 0.66 SIGMAR1 (0.37) TAAR1
SCHEMBL3790392 0.66 GABRA1 (0.46) TAAR1
SCHEMBL28605180 0.66 NOTUM (0.34)
Ammonia Solution, Strong SCHEMBL233672 0.66 CTRC (0.39)

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