SCHEMBL7918622

SCHEMBL7918622

COC(=O)Nc1cccc2c1CC1(CC2)COC(N)=N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.33
BACE1 P56817 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
PLAU P00749 1/20 0.32
TP53 P04637 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 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
SCHEMBL7918614 0.91 TAAR1 (0.51) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7918363 0.91 TAAR1 (0.51) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7919840 0.91 TAAR1 (0.51) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7910877 0.89 ADRA2A (0.62) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7924900 0.88 TAAR1 (0.55) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7913278 0.87 ADRA2A (0.60) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7921652 0.85 TAAR1 (0.57) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7923351 0.83 ADRA2A (0.60) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7921654 0.83 TAAR1 (0.54) ADRA2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL7923144 0.80 ADRA2A (0.56) ADRA2ATAAR1BACE1ADRA2BADRA2C

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
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed