SCHEMBL8562489

SCHEMBL8562489

COCC1CNc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.47
HPGD P15428 1/20 0.44
HTR1A P08908 3/20 0.43
NISCH Q9Y2I1 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.37
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
MAOA P21397 2/20 0.34
SLC6A2 P23975 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8562491 1.00 CASR (0.47) CASRHPGDHTR1ANISCHPKM
SCHEMBL8562492 1.00 CASR (0.47) CASRHPGDHTR1ANISCHPKM
SCHEMBL8569211 0.88 CASR (0.44) CASRHPGDHTR1ANISCHPKM
SCHEMBL8569202 0.88 CASR (0.44) CASRHPGDHTR1ANISCHPKM
SCHEMBL8569345 0.84 CASR (0.45) CASRHPGDHTR1ANISCHPKM
SCHEMBL8565687 0.84 CASR (0.45) CASRHPGDHTR1ANISCHPKM
SCHEMBL8565689 0.84 CASR (0.45) CASRHPGDHTR1ANISCHPKM
SCHEMBL8571070 0.82 HPGD (0.46) CASRHPGDHTR1ANISCHPKM
SCHEMBL8571072 0.82 HPGD (0.46) CASRHPGDHTR1ANISCHPKM
SCHEMBL8571067 0.82 HPGD (0.46) CASRHPGDHTR1ANISCHPKM

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