SCHEMBL8924477

SCHEMBL8924477

O=C1CCC=NN1c1ccc(Br)s1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8924535 0.79 GSK3B (0.30)
SCHEMBL8923639 0.72 NR1I2 (0.33)
SCHEMBL3059892 0.68 GAA (0.51)
SCHEMBL7813908 0.65 CYP2D6 (0.42) CYP2D6
SCHEMBL9379275 0.65 POLB (0.30)
SCHEMBL5997170 0.59 MGLL (0.45)
SCHEMBL994195 0.59
SCHEMBL5309397 0.58 ALOX5 (0.48)
SCHEMBL9002866 0.55 POLB (0.30)
SCHEMBL12299952 0.55 GAA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 WO disclosed