SCHEMBL6950168

SCHEMBL6950168

NCCON=C(CCCn1ccnc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.60
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
TBXA2R P21731 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TBXAS1 P24557 1/20 0.40

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 SCHEMBL8670830 0.99 SLC6A4 (0.59) SLC6A4HSD17B10ALOX15TBXA2RSIGMAR1
SCHEMBL6947048 0.88 SLC6A4 (0.58) SLC6A4HSD17B10TBXA2RKDM4ETP53
Hydrochloric Acid SCHEMBL6950832 0.87 SLC6A4 (0.57) SLC6A4TBXA2RKDM4ETP53ALDH1A1
SCHEMBL2434453 0.85 DRD4 (0.49) SLC6A4HSD17B10ALOX15SIGMAR1TP53
SCHEMBL7977340 0.85 DRD4 (0.49) SLC6A4HSD17B10ALOX15SIGMAR1TP53
SCHEMBL2434454 0.85 DRD4 (0.49) SLC6A4HSD17B10ALOX15SIGMAR1TP53
SCHEMBL6950846 0.84 SLC6A4 (0.58) SLC6A4TBXA2RSIGMAR1LMNAMEN1
SCHEMBL6952895 0.84 TBXA2R (0.59) SLC6A4TBXA2RLMNAMAPK1MEN1
Hydrochloric Acid SCHEMBL8667500 0.83 SLC6A4 (0.57) SLC6A4TBXA2RSIGMAR1LMNAMEN1
Hydrochloric Acid SCHEMBL8669217 0.83 TBXA2R (0.58) SLC6A4TBXA2RLMNAMAPK1MEN1

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 3 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