SCHEMBL11348787

SCHEMBL11348787

CCCCCCCCNCCOCCOCCOc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
DRD2 P14416 8/20 0.62
DRD4 P21917 8/20 0.62
DRD3 P35462 6/20 0.62
KDM4E B2RXH2 3/20 0.54
RECQL P46063 1/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ESR1 P03372 7/20 0.53
LTA4H P09960 1/20 0.53

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
SCHEMBL11352668 0.98 TSHR (0.67) TSHRDRD2DRD4DRD3KDM4E
Hydrochloric Acid SCHEMBL28934886 0.89 DRD2 (0.73) DRD2DRD4DRD3ESR1LTA4H
Hydrochloric Acid SCHEMBL11649275 0.89 DRD2 (0.73) DRD2DRD4DRD3ESR1LTA4H
Bromide SCHEMBL6578004 0.89 DRD2 (0.73) DRD2DRD4DRD3ESR1LTA4H
Bromide SCHEMBL11558499 0.89 DRD2 (0.73) DRD2DRD4DRD3ESR1LTA4H
SCHEMBL7991599 0.89 DRD2 (0.79) DRD2DRD4DRD3ESR1LTA4H
Nitrogen SCHEMBL8486432 0.86 DRD2 (0.62) DRD2DRD4DRD3ESR1LTA4H
SCHEMBL23067904 0.85 DRD4 (0.70) TSHRDRD2DRD4DRD3KDM4E
SCHEMBL31650955 0.85 DRD4 (0.70) TSHRDRD2DRD4DRD3KDM4E
SCHEMBL9447177 0.85 LTA4H (0.71) DRD2DRD4DRD3ESR1LTA4H

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-0018884-B1 PROCESS FOR THE PREPARATION OF TRIS(ETHER AMINES) AND SO OBTAINED TRIS(ETHER AMINES) RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-11-04 EP claimed