SCHEMBL4369992

SCHEMBL4369992

CCNC(=O)[C@@H]1CC[C@H](n2cnc3c(NCC(c4cccc(Cl)c4)c4cccc(Cl)c4)nc(C(=O)NCCNC(=O)NCCN4CCCCC4)nc32)O1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.67

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
SCHEMBL5934062 0.87 ADORA2A (0.87) ADORA2A
SCHEMBL5934057 0.87 ADORA2A (0.87) ADORA2A
SCHEMBL7072690 0.81 ADORA2A (0.88) ADORA2A
SCHEMBL4380944 0.81 ADORA2A (0.88) ADORA2A
SCHEMBL4380946 0.81 ADORA2A (0.88) ADORA2A
SCHEMBL4372964 0.81 ADORA2A (0.78) ADORA2A
SCHEMBL4376272 0.80 ADORA2A (1.00) ADORA2A
SCHEMBL5969961 0.80 ADORA2A (1.00) ADORA2A
SCHEMBL4376268 0.80 ADORA2A (1.00) ADORA2A
SCHEMBL13863051 0.78 ADORA2A (0.95) ADORA2A

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
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed