SCHEMBL8619829

SCHEMBL8619829

Cc1cc(N=C2NCCN2)c2c(c1)C(C)CCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
PDE9A O76083 1/20 0.30

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
SCHEMBL8625962 0.79 HTR2C (0.35)
SCHEMBL8620941 0.76 MEN1 (0.40)
SCHEMBL8621447 0.73
SCHEMBL8623398 0.73 HTR2C (0.30)
SCHEMBL8623944 0.72 CYP2A6 (0.32)
SCHEMBL8622564 0.69 HTR1D (0.32)
SCHEMBL8625921 0.68 UHRF1 (0.31)
SCHEMBL8622487 0.65 SIGMAR1 (0.32)
SCHEMBL8627077 0.65 HTR2C (0.35)
SCHEMBL412687 0.65 UGT2B17 (0.56) UGT2B17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708015-A SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN (US) 1998-01-13 US disclosed
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 WO disclosed
US-5252595-A Method for reducing or maintaining intraocular pressure in the mammalian eye by administering pharmaceutical compositions containing 2-(2-alkylphenylamino)-oxazolines, 2-(2-alkylphenylamino)-thiazolines and 2-(2-alkylphenylamino)-imidazolines ALLERGAN, INC. (US) 1993-10-12 US disclosed