SCHEMBL1081900

SCHEMBL1081900

CCCn1c(=O)c2c(ncn2-c2ccc(OCC3CC(=O)N(c4ccc(C(F)(F)F)cc4)C3)nc2)n(CCC)c1=O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.67
ADORA2A P29274 4/20 0.67
ADORA1 P30542 3/20 0.58

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
SCHEMBL1081901 0.81 ADORA2B (0.65) ADORA2BADORA2AADORA1
SCHEMBL4402271 0.80 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL1063582 0.78 ADORA2B (0.72) ADORA2BADORA2AADORA1
SCHEMBL1065581 0.74 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL1065066 0.73 ADORA2B (0.73) ADORA2BADORA2AADORA1
SCHEMBL1081715 0.73 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL1065065 0.72 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL4402342 0.71 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL1063501 0.70 ADORA2B (0.71) ADORA2BADORA2AADORA1
SCHEMBL4406728 0.67 ADORA2B (1.00) ADORA2BADORA2AADORA1

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
EP-2268641-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Pvt. Ltd. (IN) 2011-01-05 EP disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO disclosed