SCHEMBL8641950

SCHEMBL8641950

c1ccc(Cc2nc3ccccc3cc2OCCN2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.57
DRD1 P21728 3/20 0.57
DRD4 P21917 3/20 0.57
DRD5 P21918 3/20 0.57
DRD3 P35462 3/20 0.57
DRD2 P14416 2/20 0.56
LTA4H P09960 10/20 0.55
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ACP1 P24666 1/20 0.49

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
SCHEMBL8641286 0.84 LTA4H (0.52) LTA4HMEN1MAPTKMT2AACP1
SCHEMBL8639405 0.77 HRH1 (0.67) HRH1DRD1DRD4DRD5DRD3
SCHEMBL30367647 0.73 TLR8 (0.63) ACP1
SCHEMBL6575812 0.72 MEN1 (0.86) LTA4HMEN1MAPTKMT2A
SCHEMBL31033194 0.72 MEN1 (0.86) LTA4HMEN1MAPTKMT2A
SCHEMBL8773745 0.72 HRH1 (1.00) HRH1DRD1DRD4DRD5DRD3
SCHEMBL7138267 0.72 LTA4H (0.66) LTA4H
SCHEMBL7141059 0.71 LTA4H (1.00) HRH1DRD1DRD4DRD5DRD3
SCHEMBL7133024 0.71 LTA4H (0.75) HRH1DRD1DRD4DRD5DRD3
SCHEMBL7133006 0.71 LTA4H (0.64) LTA4HMEN1MAPTKMT2A

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed