SCHEMBL9502650

SCHEMBL9502650

CNCCC(Oc1ccc(NS(=O)(=O)COC(=O)C(=O)ON(c2ccc(OC(CCNC)c3ccccc3)cc2)S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 3/20 0.42
NPC1 O15118 2/20 0.42
CYP2C19 P33261 2/20 0.42
MTOR P42345 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42

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
Oxalic Acid SCHEMBL9502626 0.76 SLC6A4 (0.61) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL9499433 0.69 SLC6A4 (0.71) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL8197696 0.67 SLC6A4 (1.00) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL5011928 0.67 SLC6A4 (1.00) SLC6A4MEN1KMT2ALMNACYP2D6
Oxalic Acid SCHEMBL16347641 0.67 SLC6A4 (0.71) SLC6A4MEN1KMT2ALMNACYP2D6
Fluoxetine SCHEMBL7902052 0.67 SLC6A4 (0.86) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL18744733 0.66 SLC6A4 (0.66) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL18744738 0.66 SLC6A4 (0.66) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL18744714 0.66 SLC6A4 (0.66) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL9501028 0.66 SLC6A4 (0.69) SLC6A4MEN1KMT2ALMNACYP2D6

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
US-5238959-A For inhibiting serotonin uptake, antidepressant, suppression of alcoholism and obesity ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0336753-B1 IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
EP-0336753-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed