SCHEMBL3952575

SCHEMBL3952575

CCN(Cc1cnc[nH]1)c1cccc(C)c1.NC(Cc1cnc[nH]1)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53

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
SCHEMBL632282 0.83 TAAR1 (0.74) TAAR1
SCHEMBL631421 0.82 CYP19A1 (0.63) TAAR1
SCHEMBL3952576 0.82 TAAR1 (0.60) TAAR1
SCHEMBL8213309 0.71 TAAR1 (0.72) TAAR1
SCHEMBL632589 0.71 TAAR1 (0.72) TAAR1
SCHEMBL10228066 0.71 TAAR1 (1.00) TAAR1
SCHEMBL8213386 0.70 TAAR1 (0.73) TAAR1
SCHEMBL8216379 0.70 TAAR1 (0.64) TAAR1
SCHEMBL632356 0.70 TAAR1 (1.00) TAAR1
SCHEMBL633432 0.69 TAAR1 (0.69) TAAR1

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-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed