SCHEMBL5044749

SCHEMBL5044749

CCCn1c(=O)c2c(n(CCc3ccc(N)c(Cl)c3)c1=O)N(N1c3c(c(=O)n(CCC)c(=O)n3CCc3ccc(N)cc3Cl)N(CCN(CC)CCO)C1Cc1ccnnc1)C(Cc1ccnnc1)N2CCN(CC)CCO

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42

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
SCHEMBL5044751 0.81 ADORA1 (0.48) ADORA1
SCHEMBL1334722 0.75 ADORA1 (0.49) ADORA1
SCHEMBL1333023 0.74 ADORA1 (0.50) ADORA1
SCHEMBL5035071 0.63 ADORA2B (0.45) ADORA1
SCHEMBL1333466 0.62 ADORA1 (0.47) ADORA1
SCHEMBL4271074 0.61 CHRM2 (0.45) ADORA1
SCHEMBL23797846 0.60 ADORA1 (0.46) ADORA1
SCHEMBL4176173 0.60 ADORA1 (0.62) ADORA1
SCHEMBL1334330 0.60 ADORA1 (0.44) ADORA1
SCHEMBL1334721 0.59 ADORA2B (0.35) ADORA1

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-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP claimed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO claimed