SCHEMBL13945470

SCHEMBL13945470

C=C(C)c1ccc2c(c1)oc(=O)n2CCCCN1CCN(c2ccc(OC)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ SLC6A4 P31645 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTR1A P08908 5/20 0.53
▸ HTR7 P34969 4/20 0.53

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
SCHEMBL12124584 0.92 SLC6A2 (0.79) SLC6A2HTR2ASLC6A4SLC6A3ALDH1A1
SCHEMBL12124497 0.90 SLC6A2 (0.70) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124608 0.83 SLC6A2 (0.71) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124589 0.82 HTR1A (0.77) HTR1AHTR7
SCHEMBL12124499 0.81 SLC6A2 (0.84) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124408 0.80 SLC6A2 (1.00) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL16216950 0.80 SLC6A2 (0.82) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL15958315 0.80 SLC6A2 (0.82) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124501 0.80 SLC6A2 (0.82) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124469 0.79 SLC6A2 (0.98) SLC6A2HTR2ASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026227-A2 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS THE UNIVERSITY OF MISSISSIPPI (US) 2009-02-26 — — WO disclosed
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