SCHEMBL27554580

SCHEMBL27554580

Brc1csc(Cc2cnc[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 15/20 0.58
▸ HRH3 Q9Y5N1 2/20 0.53
▸ HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL27551588 0.74 ADRA1D (1.00) ADRA1DHRH3HRH4
SCHEMBL506596 0.66 — —
SCHEMBL27551623 0.66 ADRA1D (0.66) ADRA1DHRH3HRH4
SCHEMBL7797453 0.66 MGMT (0.35) —
Hydrochloric Acid SCHEMBL7809520 0.64 MGMT (0.35) —
SCHEMBL2626817 0.64 ADRA1D (0.63) ADRA1DHRH3HRH4
SCHEMBL31284940 0.64 HRH3 (0.47) ADRA1DHRH3HRH4
SCHEMBL30476769 0.63 ADRA1D (0.53) ADRA1DHRH3HRH4
SCHEMBL8963903 0.63 HRH3 (0.73) HRH3HRH4
SCHEMBL349261 0.61 ADRA1D (1.00) ADRA1DHRH3HRH4

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
CN-1284066-A Substituted imidazole derivatives having agonist-like activity at alpha 2B or 2B/2C adrenergic receptors ALLERGEN SALES INC (US) 2001-02-14 — — CN disclosed
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