SCHEMBL7683107

SCHEMBL7683107

O=C1CC(c2ccccc2)Cc2[nH]ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.49
ADORA1 P30542 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.45
MAP1LC3B Q9GZQ8 2/20 0.45
MEN1 O00255 2/20 0.45
CYP19A1 P11511 1/20 0.44
PIM1 P11309 2/20 0.43
LMNA P02545 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
RAB9A P51151 1/20 0.43
FLT3 P36888 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL7686930 0.82 ALOX15 (0.50) ADORA2AADORA1GAAMAPTALOX15
SCHEMBL4423266 0.78 ADORA2A (0.55) ADORA2AADORA1GAAMAPTALOX15
SCHEMBL24109885 0.73 MAP2K1 (0.34)
SCHEMBL7683273 0.72 ADORA2A (0.59) ADORA2AADORA1MAPTALOX15TSHR
SCHEMBL7685234 0.71 ALOX15 (0.56) ADORA2AADORA1GAAMAPTALOX15
SCHEMBL6124100 0.71 CYP19A1 (0.77) GAAMAPTTSHRHSD17B10KMT2A
SCHEMBL21954834 0.70 MAPT (0.57) GAAMAPTKMT2AMAP1LC3BMEN1
SCHEMBL7689646 0.69 HSD17B10 (0.50) ADORA2AMAPTALOX15TSHRHSD17B10
SCHEMBL449180 0.68 MAPT (0.82) GAAMAPTKMT2AMAP1LC3BMEN1
SCHEMBL5386997 0.67 MAPT (0.59) GAAMAPTTSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed