SCHEMBL6371379

SCHEMBL6371379

Cc1ccc(C(=O)N2CCCC2)c(NCC2=NCCN2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 0.72
▸ ADRA1B P35368 16/20 0.72
▸ ADRA1D P25100 14/20 0.71
▸ ADRA2C P18825 3/20 0.56
▸ ADRA2A P08913 2/20 0.56
▸ ADRA2B P18089 2/20 0.56

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
SCHEMBL6367199 0.87 ADRA1A (0.72) ADRA1AADRA1BADRA1DADRA2CADRA2A
SCHEMBL6367118 0.84 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6366241 0.83 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6366979 0.80 ADRA1A (0.72) ADRA1AADRA1BADRA1DADRA2CADRA2A
SCHEMBL6365969 0.80 ADRA1A (0.72) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6425264 0.79 ADRA1A (0.88) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6425260 0.79 ADRA1A (0.88) ADRA1AADRA1BADRA1D
SCHEMBL6366018 0.78 ADRA1A (0.69) ADRA1AADRA1BADRA1DADRA2CADRA2A
SCHEMBL6366133 0.77 ADRA1A (0.58) ADRA1AADRA1BADRA1DADRA2CADRA2B
SCHEMBL6365677 0.75 ADRA1A (0.81) ADRA1AADRA1BADRA1D

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
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