SCHEMBL8525973

SCHEMBL8525973

OCC1C[C@@H](n2cnc3cc(Cl)c(Cl)cc32)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.57
ADORA2B P29275 1/20 0.49
THRB P10828 1/20 0.40
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL9119445 1.00 AHCY (0.57) AHCYADORA2BTHRBADORA3
SCHEMBL8525972 1.00 AHCY (0.57) AHCYADORA2BTHRBADORA3
SCHEMBL9120465 1.00 AHCY (0.57) AHCYADORA2BTHRBADORA3
SCHEMBL9120372 1.00 AHCY (0.57) AHCYADORA2BTHRBADORA3
SCHEMBL8524248 0.81 THRB (0.41) AHCYTHRB
SCHEMBL8524247 0.81 THRB (0.41) AHCYTHRB
SCHEMBL8586343 0.80 THRB (0.41) AHCYTHRB
SCHEMBL8586347 0.80 THRB (0.41) AHCYTHRB
SCHEMBL8659689 0.78 HDAC6 (0.41) AHCYADORA2B
SCHEMBL8659692 0.78 HDAC6 (0.41) AHCYADORA2B

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
US-5912356-A HERPES VIRUS GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed