SCHEMBL9747

SCHEMBL9747

CNC(CC(Oc1cccc2ccccc12)c1ccco1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)c1ccco1)NC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.61
SLC6A2 P23975 14/20 0.61
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PGR P06401 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A3 Q01959 2/20 0.39
HTT P42858 2/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL27421324 0.88 SLC6A4 (0.58) SLC6A4SLC6A2KMT2AHSD17B10GAA
SCHEMBL3924 0.82 SLC6A4 (0.56) SLC6A4SLC6A2KMT2AHSD17B10GAA
SCHEMBL3336 0.81 SLC6A2 (0.61) SLC6A4SLC6A2KMT2AGAASLC6A3
SCHEMBL2014600 0.81 SLC6A2 (0.61) SLC6A4SLC6A2KMT2AGAASLC6A3
SCHEMBL3449 0.80 SLC6A2 (0.62) SLC6A4SLC6A2KMT2AGAASLC6A3
SCHEMBL3771 0.79 SLC6A4 (0.45) SLC6A4SLC6A2MAPK1
SCHEMBL3732 0.78 SLC6A4 (0.63) SLC6A4SLC6A2KMT2AGAASLC6A3
Sulfuric Acid SCHEMBL4224 0.78 SLC6A4 (0.87) SLC6A4SLC6A2KMT2AGAASLC6A3
Sulfuric Acid SCHEMBL5305469 0.78 SLC6A4 (0.87) SLC6A4SLC6A2KMT2AGAASLC6A3
Oxalic Acid SCHEMBL9746 0.78 SLC6A4 (0.87) SLC6A4SLC6A2KMT2AGAASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed