SCHEMBL8625962

SCHEMBL8625962

CC1CCCc2c(N=C3NCCN3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.31

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
SCHEMBL8622487 0.82 SIGMAR1 (0.32)
SCHEMBL8623398 0.80 HTR2C (0.30) HTR2CCA1CA2
SCHEMBL8619829 0.79 UGT2B17 (0.38)
SCHEMBL23837686 0.77 CA1 (0.33) HTR2CCA1CA2
SCHEMBL8627077 0.77 HTR2C (0.35) HTR2CADRA2A
SCHEMBL8619777 0.72 DRD2 (0.36) CA1CA2DRD2
Tramazoline SCHEMBL8623881 0.72 BCL2L1 (0.47)
SCHEMBL1660087 0.72 ADRA2A (0.50) ADRA2ADRD2
SCHEMBL8624076 0.71 CHRM3 (0.38) HTR2CDRD2
SCHEMBL598145 0.71 ADRA2A (0.44) HTR2CCA1CA2ADRA2A

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