SCHEMBL3431968

SCHEMBL3431968

CCOC(=O)Oc1cc(-c2cccc(OCCCN3CCCC3)c2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.48
HRH3 Q9Y5N1 10/20 0.48

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
SCHEMBL3429113 0.89 HRH3 (0.54) AVPR1BHRH3
SCHEMBL3429795 0.89 SLC16A3 (0.45)
SCHEMBL3431644 0.88 SLC16A3 (0.46)
SCHEMBL1764961 0.87 FAAH (0.54) AVPR1BHRH3
SCHEMBL3430158 0.86 SLC16A3 (0.43)
SCHEMBL3426584 0.83 SLC16A3 (0.57)
SCHEMBL3429446 0.82 SLC16A3 (0.48)
SCHEMBL1764960 0.82 HRH3 (0.56) AVPR1BHRH3
SCHEMBL1110698 0.80 PPP1CA (0.50)
SCHEMBL1110679 0.80 SLC5A1 (0.51)

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
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 WO disclosed