SCHEMBL8674172

SCHEMBL8674172

c1ccc2c(c1)CN(C1=NCCO1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
EED O75530 2/20 0.36
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
Hydrochloric Acid SCHEMBL8674349 0.98 ADRA2A (0.48) ADRA2AADRA2BADRA2CKCNN4ALDH1A1
SCHEMBL8676334 0.83 ADRA2A (0.39) ADRA2AADRA2BADRA2CKCNN4
SCHEMBL8677169 0.81 CYP1A2 (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8674126 0.81 TIPARP (0.42) ADRA2AADRA2BADRA2C
SCHEMBL8673745 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CALDH1A1MEN1
Hydrochloric Acid SCHEMBL8675249 0.80 TIPARP (0.41) ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8670817 0.79 ADRA2A (0.41) ADRA2AADRA2BADRA2CALDH1A1HRH4
SCHEMBL5658841 0.72
SCHEMBL8674232 0.71 MAPT (0.42) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL8675140 0.71 ADRA2B (0.37) ADRA2AADRA2BADRA2CKCNN4MEN1

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
US-5726197-A ADRENORECEPTORS AND ADMINISTERING SYNTEX (U.S.A.) INC. (US) 1998-03-10 US disclosed