SCHEMBL11089403

SCHEMBL11089403

CCOC(=O)c1nc2c3cc(C)c(C)cc3n(C)c(=O)n2n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.55
ADORA2A P29274 1/20 0.45

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
SCHEMBL11079707 0.87 ADORA3 (0.52) ADORA3ADORA2A
SCHEMBL11088377 0.87 ADORA3 (0.49) ADORA3ADORA2A
SCHEMBL11082599 0.87 ADORA3 (0.48) ADORA3ADORA2A
SCHEMBL11087008 0.86 ADORA3 (0.57) ADORA3ADORA2A
SCHEMBL11086256 0.85 ADORA3 (0.49) ADORA3ADORA2A
SCHEMBL11082791 0.84 ADORA3 (0.61) ADORA3ADORA2A
SCHEMBL11087927 0.83 ADORA3 (0.67) ADORA3
SCHEMBL11083828 0.82 ADORA3 (0.52) ADORA3ADORA2A
SCHEMBL10924800 0.82 ADORA3 (0.36) ADORA3
SCHEMBL11083590 0.82 ADORA3 (0.51) ADORA3ADORA2A

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
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed