SCHEMBL7809164

SCHEMBL7809164

COc1ccc(Nc2ncc[nH]2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 9/20 1.00
▸ ADRA2C P18825 8/20 1.00
▸ ADRA1D P25100 7/20 1.00
▸ ADRA1A P35348 7/20 1.00
▸ ADRA1B P35368 7/20 1.00
▸ GAA P10253 1/20 0.53
▸ HPGDS O60760 1/20 0.45
▸ PDE9A O76083 2/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PRKDC P78527 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16073068 0.75 ADRA2A (0.60) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL15087184 0.74 ADRA2A (0.64) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8542548 0.73 ADRA2A (0.57) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL25634740 0.72 GAA (0.80) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4230288 0.72 GAA (0.64) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11219654 0.72 GAA (0.64) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL30072908 0.71 GAA (0.57) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL10639862 0.70 GAA (0.72) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11228831 0.70 GAA (0.62) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL17528585 0.70 ADRA2A (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741709-B1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS ALLERGAN SALES INC (US) 2001-07-25 — — EP claimed
EP-0741709-A1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS Allergan (US) 1996-11-13 — — EP claimed
WO-1995019968-A1 AROMATIC 2-AMINO-IMIDAZOLE DERIVATIVES AS ALPHA-2A ADRENOCEPTOR AGONISTS ALLERGAN (US) 1995-07-27 — — WO claimed
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