SCHEMBL10347239

SCHEMBL10347239

CCCN(CCC)CCc1ccc(O)c2c1=NC(=O)N=2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
DRD1 P21728 4/20 0.53
DRD4 P21917 4/20 0.53
DRD5 P21918 4/20 0.53
HTR1A P08908 2/20 0.50
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
ADRA1A P35348 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PMP22 Q01453 1/20 0.44
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
LMNA P02545 1/20 0.40

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
Bromide SCHEMBL10347450 0.99 DRD2 (0.52) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL10870298 0.93 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10347485 0.91 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10347652 0.80 SIGMAR1 (0.39)
SCHEMBL10347292 0.80 OPRK1 (0.41) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9688810 0.71 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10957766 0.70 HTR1A (0.57) DRD2DRD3DRD1DRD4DRD5
Skf-89124A SCHEMBL2914813 0.70 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10960456 0.69 HTR1A (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22705603 0.69 HTR1A (0.56) DRD2DRD3DRD1DRD4DRD5

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