SCHEMBL17244161

SCHEMBL17244161

CCC(CC[C@H]1COC(N=NN)=N1)c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7946241 0.82 TAAR1 (0.60) TAAR1CYP2D6
SCHEMBL1831402 0.82 TAAR1 (0.60) TAAR1CYP2D6
SCHEMBL17244156 0.70 TAAR1 (0.45) TAAR1
SCHEMBL1835254 0.70 TAAR1 (0.36) TAAR1CYP2D6
SCHEMBL7944726 0.70 TAAR1 (0.78) TAAR1CYP2D6
SCHEMBL1836160 0.70 TAAR1 (0.78) TAAR1CYP2D6
SCHEMBL1833588 0.69 TAAR1 (0.54) TAAR1CYP2D6
SCHEMBL4662805 0.66 ACP3 (0.41)
SCHEMBL27715706 0.66 AOC3 (0.44) TAAR1
SCHEMBL13958492 0.65 ACHE (0.50) TAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed