SCHEMBL7518612

SCHEMBL7518612

CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 1.00
▸ ADRA1D P25100 17/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ ADRA2C P18825 12/20 1.00
▸ ADRA2A P08913 12/20 0.67
▸ ADRA2B P18089 2/20 0.63

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 SCHEMBL6366688 0.92 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2CADRA2A
Fumaric Acid SCHEMBL6366680 0.92 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL6367117 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL6315485 0.80 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2A
Hydrochloric Acid SCHEMBL9654113 0.80 ADRA1A (0.69) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5612493 0.76 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2A
Fumaric Acid SCHEMBL6366889 0.74 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2CADRA2A
Fumaric Acid SCHEMBL6366895 0.74 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL6371025 0.73 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5612258 0.72 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRA2CADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 — — EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — WO disclosed
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