SCHEMBL6947048

SCHEMBL6947048

NCCON=C(CCCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.58
TBXA2R P21731 3/20 0.47
TP53 P04637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 SCHEMBL6950832 0.99 SLC6A4 (0.57) SLC6A4TBXA2RTP53ALDH1A1SMN1; SMN2
SCHEMBL6948560 0.93 SLC6A4 (0.54) SLC6A4TBXA2RTP53ALDH1A1SMN1; SMN2
SCHEMBL6950846 0.89 SLC6A4 (0.58) SLC6A4TBXA2RSMN1; SMN2
SCHEMBL6952895 0.89 TBXA2R (0.59) SLC6A4TBXA2RMAPK1
SCHEMBL6950168 0.88 SLC6A4 (0.60) SLC6A4TBXA2RTP53ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8667500 0.88 SLC6A4 (0.57) SLC6A4TBXA2RSMN1; SMN2
Hydrochloric Acid SCHEMBL8669217 0.88 TBXA2R (0.58) SLC6A4TBXA2RMAPK1
Hydrochloric Acid SCHEMBL8670830 0.87 SLC6A4 (0.59) SLC6A4TBXA2RTP53ALDH1A1SMN1; SMN2
SCHEMBL6952666 0.86 SLC6A4 (0.60) SLC6A4TBXA2RSMN1; SMN2
Fumaric Acid SCHEMBL8670308 0.86 TBXA2R (0.47) SLC6A4TBXA2RALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 EP claimed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US claimed
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 claimed
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
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