SCHEMBL8565689

SCHEMBL8565689

COCC[C@@H]1CNc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.45
HPGD P15428 1/20 0.42
HTR1A P08908 3/20 0.42
NISCH Q9Y2I1 1/20 0.40
TSHR P16473 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PARP1 P09874 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
LTA4H P09960 1/20 0.32
HTR5A P47898 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
SCHEMBL8569345 1.00 CASR (0.45) CASRHPGDHTR1ANISCHTSHR
SCHEMBL8565687 1.00 CASR (0.45) CASRHPGDHTR1ANISCHTSHR
SCHEMBL8562492 0.84 CASR (0.47) CASRHPGDHTR1ANISCHTSHR
SCHEMBL8562489 0.84 CASR (0.47) CASRHPGDHTR1ANISCHTSHR
SCHEMBL8562491 0.84 CASR (0.47) CASRHPGDHTR1ANISCHTSHR
SCHEMBL4824743 0.83 HPGD (0.51) CASRHPGDHTR1ANISCHBRD4
SCHEMBL5103992 0.82 CASR (0.41) CASRHPGDHTR1ANISCHBRD4
SCHEMBL7476692 0.80 CASR (0.45) CASRHPGDHTR1ANISCHBRD4
SCHEMBL8569202 0.79 CASR (0.44) CASRHPGDHTR1ANISCHTSHR
SCHEMBL8569211 0.79 CASR (0.44) CASRHPGDHTR1ANISCHTSHR

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