SCHEMBL8773759

SCHEMBL8773759

NC(=O)C1CCCN(CCOc2ccccc2Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.64
HRH1 P35367 8/20 0.63
DRD1 P21728 6/20 0.63
DRD5 P21918 5/20 0.63
DRD4 P21917 4/20 0.63
DRD3 P35462 4/20 0.63
DRD2 P14416 3/20 0.62
KMT2A Q03164 1/20 0.48

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
SCHEMBL8910594 0.91 HRH1 (0.66) HRH1DRD1DRD5DRD4DRD3
SCHEMBL8910600 0.91 HRH1 (0.66) HRH1DRD1DRD5DRD4DRD3
Hydrochloric Acid SCHEMBL8909029 0.90 HRH1 (0.65) HRH1DRD1DRD5DRD4DRD3
Hydrochloric Acid SCHEMBL8909022 0.90 HRH1 (0.65) HRH1DRD1DRD5DRD4DRD3
SCHEMBL8911288 0.86 ALDH1A1 (0.61) LTA4HHRH1DRD1DRD5DRD4
SCHEMBL8911278 0.86 ALDH1A1 (0.61) LTA4HHRH1DRD1DRD5DRD4
SCHEMBL11259795 0.85 L3MBTL1 (0.54) LTA4HHRH1DRD1DRD5DRD4
SCHEMBL7137384 0.85 LTA4H (0.87) LTA4H
SCHEMBL11256970 0.85 KDM4E (0.54) LTA4HHRH1KMT2A
SCHEMBL7135531 0.80 LTA4H (0.78) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed