SCHEMBL10347292

SCHEMBL10347292

C=CCN(CC=C)CCc1ccc(O)c2c1=NC(=O)N=2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.41
DRD3 P35462 7/20 0.41
HTR1A P08908 6/20 0.41
ADRA2A P08913 6/20 0.41
ADRA2B P18089 6/20 0.41
ADRA2C P18825 6/20 0.41
HTR1D P28221 6/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR1E P28566 6/20 0.41
SLC6A4 P31645 6/20 0.41
HRH1 P35367 6/20 0.41
HTR2B P41595 6/20 0.41
HTR6 P50406 6/20 0.41
SLC6A3 Q01959 6/20 0.41
SIGMAR1 Q99720 6/20 0.41
ADRA1A P35348 5/20 0.41
SLC6A2 P23975 5/20 0.41
ADRA1B P35368 4/20 0.41
OPRM1 P35372 6/20 0.38

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
SCHEMBL10347509 0.80 HTR1A (0.41) OPRK1DRD3HTR1AADRA2AADRA2B
SCHEMBL10347239 0.80 DRD2 (0.53) OPRK1DRD3HTR1AADRA2AADRA2B
Bromide SCHEMBL10347450 0.79 DRD2 (0.52) OPRK1DRD3HTR1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL10870298 0.75 DRD2 (0.48) OPRK1DRD3HTR1AADRA2AADRA2B
SCHEMBL10920726 0.71 DRD2 (0.70) OPRK1DRD3HTR1AADRA2AADRA2B
Bromide SCHEMBL10919553 0.70 DRD2 (0.68) OPRK1DRD3HTR1AADRA2AADRA2B
SCHEMBL10833956 0.69 OPRK1 (0.41) OPRK1DRD3HTR1AADRA2AADRA2B
SCHEMBL11304680 0.69 HTR1A (0.59) OPRK1DRD3HTR1AADRA2AADRA2B
SCHEMBL9687997 0.68 OPRK1 (0.45) OPRK1DRD3HTR1AADRA2AADRA2B
SCHEMBL11304682 0.62 OPRK1 (0.71) OPRK1DRD3HTR1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175525-B1 7-[2-(Dialkylamino)ethyl]-4-hydroxy-1,3-benzimidazol-2-ones SMITHKLINE BEECHAM CORPORATION (US) 1990-05-23 EP disclosed
EP-0175525-B1 7-[2-(Dialkylamino)ethyl]-4-hydroxy-1,3-benzimidazol-2-ones SMITHKLINE BEECHAM CORPORATION (US) 1990-05-23 EP disclosed
EP-0175525-A1 7-[2-(Dialkylamino)ethyl]-4-hydroxy-1,3-benzimidazol-2-ones SMITHKLINE BEECHAM CORPORATION (US) 1986-03-26 EP disclosed
US-4554287-A Antihypertensive 7-[2-(dialkylamino)ethyl]-4-hydroxy-1,3-benzimidazol-2-ones SMITHKLINE BECKMAN CORPORATION (US) 1985-11-19 US disclosed
US-4554287-A Antihypertensive 7-[2-(dialkylamino)ethyl]-4-hydroxy-1,3-benzimidazol-2-ones SMITHKLINE BECKMAN CORPORATION (US) 1985-11-19 US disclosed