SCHEMBL8644124

SCHEMBL8644124

Fc1ccc(CC2CCN(CCOc3ccccc3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.70
SIGMAR1 Q99720 2/20 0.70
HTR1A P08908 2/20 0.56
HTR7 P34969 2/20 0.56
DRD2 P14416 1/20 0.56
HTR6 P50406 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LTA4H P09960 6/20 0.55
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
Hydrochloric Acid SCHEMBL7377265 0.91 TMEM97 (0.61) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7380357 0.88 GRIN2B (0.55) TMEM97SIGMAR1LTA4H
SCHEMBL8639262 0.88 SIGMAR1 (0.70) TMEM97SIGMAR1HTR1AHTR7SLC6A2
SCHEMBL8637770 0.87 TMEM97 (0.65) TMEM97SIGMAR1HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL7406276 0.86 TMEM97 (0.80) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7400101 0.85 TMEM97 (0.70) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7405268 0.84 TMEM97 (0.73) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7406556 0.84 TMEM97 (0.68) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7248846 0.83 TMEM97 (0.71) TMEM97SIGMAR1LTA4HCARM1PRMT6
SCHEMBL5888854 0.83 TMEM97 (1.00) TMEM97SIGMAR1SLC6A2SLC6A4LTA4H

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