SCHEMBL8570483

SCHEMBL8570483

OC[C@@H]1CNc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.47
HPGD P15428 2/20 0.47
HTR1A P08908 4/20 0.46
NISCH Q9Y2I1 1/20 0.45
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
PARP1 P09874 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL3969660 1.00 CASR (0.47) CASRHPGDHTR1ANISCHGAA
SCHEMBL7476692 0.86 CASR (0.45) CASRHPGDHTR1ANISCHGAA
SCHEMBL3969657 0.82 CASR (0.47) CASRHPGDHTR1ANISCHGAA
SCHEMBL2638179 0.82 CASR (0.47) CASRHPGDHTR1ANISCHGAA
SCHEMBL17150937 0.82 CASR (0.50) CASRHPGDHTR1ANISCHGAA
SCHEMBL30112409 0.82 CASR (0.50) CASRHPGDHTR1ANISCHGAA
SCHEMBL4824743 0.79 HPGD (0.51) CASRHPGDHTR1ANISCHGAA
Hydrochloric Acid SCHEMBL9153498 0.79 HPGD (0.48) CASRHPGDHTR1ANISCHGAA
SCHEMBL4566586 0.78 CASR (0.44) CASRHPGDHTR1ANISCHGAA
SCHEMBL9701396 0.78 CASR (0.56) CASRHPGDHTR1ANISCHCREBBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed