SCHEMBL8641102

SCHEMBL8641102

COc1cccc(CC2CCN(CCOc3ccccc3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.67
SLC6A4 P31645 1/20 0.67
TMEM97 Q5BJF2 2/20 0.65
SIGMAR1 Q99720 2/20 0.65
ACHE P22303 4/20 0.59
LTA4H P09960 4/20 0.55
GAA P10253 1/20 0.53
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
SCHEMBL8638263 0.86 TMEM97 (0.65) HTR1ASLC6A4TMEM97SIGMAR1LTA4H
SCHEMBL8637770 0.86 TMEM97 (0.65) HTR1ASLC6A4TMEM97SIGMAR1LTA4H
SCHEMBL7402782 0.86 TMEM97 (0.76) HTR1ASLC6A4TMEM97SIGMAR1ACHE
SCHEMBL7404295 0.82 TMEM97 (0.82) HTR1ASLC6A4TMEM97SIGMAR1LTA4H
SCHEMBL7248846 0.80 TMEM97 (0.71) TMEM97SIGMAR1LTA4HCARM1PRMT6
SCHEMBL8637801 0.80 TMEM97 (0.56) HTR1ASLC6A4TMEM97SIGMAR1LTA4H
SCHEMBL5888854 0.80 TMEM97 (1.00) SLC6A4TMEM97SIGMAR1LTA4HCARM1
SCHEMBL8644124 0.80 TMEM97 (0.70) HTR1ASLC6A4TMEM97SIGMAR1LTA4H
SCHEMBL8639262 0.80 SIGMAR1 (0.70) HTR1ASLC6A4TMEM97SIGMAR1LTA4H
Bromide SCHEMBL7253600 0.79 TMEM97 (0.69) TMEM97SIGMAR1LTA4HCARM1PRMT6

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