SCHEMBL6947467

SCHEMBL6947467

O=C(CCc1ncc[nH]1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.54
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAAR1 Q96RJ0 3/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
NR4A2 P43354 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL21162209 0.84 EGFR (0.58) GAASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4968860 0.83 GAA (0.61) TBXAS1CTNNB1WNT3AGAASMN1; SMN2
SCHEMBL11473805 0.83 SMN1; SMN2 (0.51) TBXAS1CTNNB1WNT3ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5851393 0.82 GAA (0.59) TBXAS1CTNNB1WNT3AGAASMN1; SMN2
SCHEMBL9721226 0.82 TBXAS1 (0.46) TBXAS1GAASMN1; SMN2TAAR1ALDH1A1
SCHEMBL11264743 0.79 TAAR1 (0.56) TBXAS1GAASMN1; SMN2TAAR1ALDH1A1
SCHEMBL434767 0.79 TBXAS1 (0.74) TBXAS1GAASMN1; SMN2TAAR1
SCHEMBL30620153 0.79 TBXAS1 (0.74) TBXAS1GAASMN1; SMN2TAAR1
Bromide SCHEMBL28875643 0.78 TBXAS1 (0.72) TBXAS1GAASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL8937731 0.78 TBXAS1 (0.75) TBXAS1GAASMN1; SMN2TAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 EP disclosed
US-5770740-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-23 US disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 US disclosed
US-5665756-A Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US disclosed
US-5648367-A ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER HOECHST MARION ROUSSEL, INC. (US) 1997-07-15 US disclosed
EP-0709378-A2 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-05-01 EP disclosed