SCHEMBL7433919

SCHEMBL7433919

CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.77
DRD3 P35462 2/20 0.77
KCNH2 Q12809 2/20 0.77
GHSR Q92847 2/20 0.77
HTR1A P08908 1/20 0.77
HTR3A P46098 1/20 0.77
TP53 P04637 5/20 0.64
NR1I2 O75469 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
OPRM1 P35372 1/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.56
SLC22A1 O15245 1/20 0.56
ABCB11 O95342 1/20 0.56
PDE4D Q08499 1/20 0.56
GABRA1 P14867 3/20 0.52
GABRA5 P31644 3/20 0.52
GABRA3 P34903 3/20 0.52
GABRA2 P47869 3/20 0.52
GABRB2 P47870 3/20 0.52

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
SCHEMBL11851988 0.89 OPRK1 (0.74) OPRK1DRD3KCNH2GHSRHTR1A
SCHEMBL11769344 0.88 TP53 (0.72) OPRK1DRD3KCNH2GHSRHTR1A
SCHEMBL11851286 0.88 OPRK1 (0.74) OPRK1DRD3KCNH2GHSRHTR1A
SCHEMBL11578948 0.88 OPRK1 (0.71) OPRK1DRD3KCNH2GHSRHTR1A
Desalkylflurazepam SCHEMBL8124276 0.88 OPRK1 (0.76) OPRK1DRD3KCNH2GHSRHTR1A
Desalkylflurazepam SCHEMBL31365163 0.88 OPRK1 (0.76) OPRK1DRD3KCNH2GHSRHTR1A
Flurazepam SCHEMBL29793 0.87 OPRK1 (1.00) OPRK1DRD3KCNH2GHSRHTR1A
Flurazepam SCHEMBL10587083 0.87 OPRK1 (1.00) OPRK1DRD3KCNH2GHSRHTR1A
Flurazepam SCHEMBL29565153 0.87 OPRK1 (1.00) OPRK1DRD3KCNH2GHSRHTR1A
SCHEMBL11579969 0.87 OPRK1 (0.69) OPRK1DRD3KCNH2GHSRHTR1A

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
EP-0391179-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed