SCHEMBL8071822

SCHEMBL8071822

COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4[N+](=O)[O-])CC3)nc(N)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
ADRA1D P25100 2/20 0.46

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
SCHEMBL8071975 0.91 ADRA1A (0.56) ADRA1AADRA1B
SCHEMBL8076826 0.85 ADRA1A (0.56) ADRA1AADRA1BADRA1D
SCHEMBL8077026 0.77 ADRA1A (0.60) ADRA1AADRA1BADRA1D
SCHEMBL8061075 0.76 EHMT2 (0.48) ADRA1AADRA1B
SCHEMBL8070173 0.76 HCAR3 (0.55)
SCHEMBL8071911 0.75 ADRA1A (0.62) ADRA1AADRA1B
SCHEMBL8071651 0.75 ADRA1A (0.57) ADRA1AADRA1BADRA1D
SCHEMBL22206324 0.74 ADRA1A (0.58) ADRA1AADRA1BADRA1D
SCHEMBL15321173 0.74 HCAR3 (0.68)
SCHEMBL32660016 0.74 HCAR3 (0.68)

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-6156758-A Antibacterial quinazoline compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-05 US disclosed