SCHEMBL8569206

SCHEMBL8569206

COC(OC)[C@@H]1CNc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
HPGD P15428 1/20 0.41
CASR P41180 1/20 0.39
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PARP1 P09874 1/20 0.36
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 3/20 0.33
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL11430909 0.81 NISCH (0.45) NISCHHPGDCASRBRD4CREBBP
SCHEMBL3972135 0.75 NISCH (0.45) NISCHHPGDCASRBRD4CREBBP
SCHEMBL18601107 0.73 HPGD (0.46) NISCHHPGDCASRBRD4CREBBP
SCHEMBL19392968 0.72 BRD4 (0.54) NISCHHPGDCASRBRD4CREBBP
SCHEMBL517074 0.72 BRD4 (0.54) NISCHHPGDCASRBRD4CREBBP
SCHEMBL8562489 0.71 CASR (0.47) NISCHHPGDCASRBRD4CREBBP
SCHEMBL8562491 0.71 CASR (0.47) NISCHHPGDCASRBRD4CREBBP
SCHEMBL8562492 0.71 CASR (0.47) NISCHHPGDCASRBRD4CREBBP
SCHEMBL15158184 0.69 HPGD (0.48) NISCHHPGDCASRBRD4CREBBP
SCHEMBL8564068 0.69 NISCH (0.46) NISCHHPGDCASRBRD4CREBBP

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed