SCHEMBL6365977

SCHEMBL6365977

Cc1ccc(-c2ccccc2N(CC2=NCCN2)OC(=O)/C=C/C(=O)ON(CC2=NCCN2)c2ccccc2-c2ccc(C)n2C)n1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 13/20 0.52
▸ ADRA1D P25100 8/20 0.35
▸ ADRA1B P35368 7/20 0.35
▸ NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL6372767 0.85 ADRA1A (0.53) ADRA1AADRA1DADRA1B
SCHEMBL6366508 0.85 ADRA1A (0.51) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6367347 0.82 ADRA1A (0.36) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6371214 0.82 ADRA1A (0.52) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6367351 0.82 ADRA1A (0.52) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6366600 0.81 ADRA1A (0.40) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6367364 0.81 ADRA1A (0.52) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6367811 0.80 TAAR1 (0.40) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6367329 0.80 ADRA1A (0.51) ADRA1AADRA1DADRA1BNISCH
SCHEMBL6366663 0.79 ADRA1A (0.55) ADRA1AADRA1DADRA1BNISCH

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-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 — — US disclosed
Send feedback