SCHEMBL14721884

SCHEMBL14721884

OCCCN1C=CC2=C(CCC=C2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4913656 0.85 HRH1 (0.44) MEN1MAPTTHRBMAPK1HTT
SCHEMBL14722203 0.84 — —
SCHEMBL14721914 0.84 NUDT1 (0.31) —
SCHEMBL8027453 0.84 MAPT (0.39) MEN1MAPTTHRBMAPK1HTT
SCHEMBL14699541 0.72 ALDH1A1 (0.32) —
Hydrochloric Acid SCHEMBL15900287 0.72 ALDH1A1 (0.32) MEN1MAPTTHRBKMT2ASMN1; SMN2
SCHEMBL7168223 0.68 HTR2A (0.30) —
SCHEMBL7623041 0.64 ALDH1A1 (0.36) —
SCHEMBL21913839 0.63 SLC6A4 (0.32) —
SCHEMBL13642931 0.62 MAPT (0.35) MEN1MAPTTHRBMAPK1HTT

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-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 — — WO disclosed
Send feedback