SCHEMBL8639262

SCHEMBL8639262

Clc1ccc(CC2CCN(CCOc3ccccc3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.70
TMEM97 Q5BJF2 2/20 0.70
ALDH1A1 P00352 1/20 0.58
LTA4H P09960 6/20 0.55
DRD4 P21917 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51

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
SCHEMBL7406605 0.92 SIGMAR1 (0.82) SIGMAR1TMEM97ALDH1A1LTA4HDRD4
Hydrochloric Acid SCHEMBL7409008 0.91 SIGMAR1 (0.80) SIGMAR1TMEM97ALDH1A1LTA4HDRD4
SCHEMBL8644124 0.88 TMEM97 (0.70) SIGMAR1TMEM97LTA4HHTR1AHTR7
SCHEMBL7409069 0.87 SIGMAR1 (0.82) SIGMAR1TMEM97ALDH1A1LTA4HDRD4
SCHEMBL8638263 0.87 TMEM97 (0.65) SIGMAR1TMEM97ALDH1A1LTA4HHRH3
Hydrochloric Acid SCHEMBL7404802 0.86 SIGMAR1 (0.80) SIGMAR1TMEM97ALDH1A1LTA4HDRD4
SCHEMBL7408573 0.86 SIGMAR1 (0.82) SIGMAR1TMEM97ALDH1A1DRD4HRH3
Bromide SCHEMBL8169444 0.85 SIGMAR1 (0.81) SIGMAR1TMEM97ALDH1A1DRD4HRH3
SCHEMBL7404109 0.84 SIGMAR1 (0.73) SIGMAR1TMEM97ALDH1A1LTA4HDRD4
SCHEMBL7248846 0.83 TMEM97 (0.71) SIGMAR1TMEM97LTA4HHRH3CARM1

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