SCHEMBL3771

SCHEMBL3771

CNC(CC(Oc1cccc2ccccc12)c1cccnc1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)c1cccnc1)NC

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.45
SLC6A2 P23975 14/20 0.45
MAPK1 P28482 1/20 0.43
CACNA2D1 P54289 4/20 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
SCHEMBL3522 0.84 MAPK1 (0.41) SLC6A4SLC6A2MAPK1CACNA2D1
SCHEMBL2526 0.83 HTT (0.44) SLC6A4
SCHEMBL3449 0.80 SLC6A2 (0.62) SLC6A4SLC6A2CACNA2D1
SCHEMBL9747 0.79 SLC6A4 (0.61) SLC6A4SLC6A2MAPK1
SCHEMBL3732 0.79 SLC6A4 (0.63) SLC6A4SLC6A2CACNA2D1
Oxalic Acid SCHEMBL3770 0.78 SLC6A4 (0.69) SLC6A4SLC6A2CACNA2D1
SCHEMBL3336 0.77 SLC6A2 (0.61) SLC6A4SLC6A2CACNA2D1
SCHEMBL2014600 0.77 SLC6A2 (0.61) SLC6A4SLC6A2CACNA2D1
Hydrochloric Acid SCHEMBL7771743 0.76 SLC6A4 (0.73) SLC6A4SLC6A2CACNA2D1
Oxalic Acid SCHEMBL3521 0.74 CACNA2D1 (0.52) SLC6A4SLC6A2MAPK1CACNA2D1

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