SCHEMBL4630003

SCHEMBL4630003

Cc1cccc(C)c1CC1(C2(Cc3c(Cl)cccc3Cl)NCCN2)NCCN1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.36
EIF2AK1 Q9BQI3 6/20 0.36
TAAR1 Q96RJ0 3/20 0.35
HTR1D P28221 1/20 0.35
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL4629682 0.76 SIGMAR1 (0.37) TAAR1POLB
SCHEMBL4630163 0.69 TAAR1 (0.32) TAAR1
SCHEMBL9861759 0.68 TAAR1 (0.43) P2RX7TAAR1POLBPKMHTR2A
SCHEMBL726569 0.68 TAAR1 (0.43) P2RX7TAAR1POLBPKMHTR2A
SCHEMBL10061644 0.67 P2RX7 (0.44) P2RX7EIF2AK1TAAR1POLB
SCHEMBL6358890 0.66 TAAR1 (0.41) P2RX7TAAR1POLBPKMHTR2A
SCHEMBL1127909 0.66 TAAR1 (0.52) P2RX7TAAR1PKMHTR2AHTR2C
SCHEMBL14127124 0.66 TAAR1 (0.41) P2RX7TAAR1POLBPKMHTR2A
SCHEMBL14567074 0.66 TAAR1 (0.41) P2RX7TAAR1POLBPKMHTR2A
SCHEMBL14363074 0.66 IDO1 (0.43) P2RX7TAAR1POLBPKMHTR2A

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