SCHEMBL6368293

SCHEMBL6368293

CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 1.00
▸ ADRA1D P25100 17/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ ADRA2A P08913 9/20 1.00
▸ ADRA2C P18825 10/20 0.73
▸ ADRA2B P18089 4/20 0.60

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
Fumaric Acid SCHEMBL6368462 0.91 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2C
Fumaric Acid SCHEMBL6368473 0.91 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6315485 0.86 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6371025 0.85 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL5612258 0.84 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRA2AADRA2C
Hydrochloric Acid SCHEMBL7576064 0.82 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6365534 0.82 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6371153 0.81 ADRA1A (0.76) ADRA1AADRA1DADRA1BADRA2AADRA2C
Hydrochloric Acid SCHEMBL6367759 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6436107 0.81 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRA2AADRA2C

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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