SCHEMBL3522

SCHEMBL3522

CN(C)C(CC(Oc1cccc2ccccc12)c1cccnc1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)c1cccnc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
SLC6A2 P23975 10/20 0.40
SLC6A4 P31645 10/20 0.40
CACNA2D1 P54289 1/20 0.38
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3771 0.84 SLC6A4 (0.45) MAPK1SLC6A2SLC6A4CACNA2D1
SCHEMBL3563 0.80 SLC6A2 (0.56) SLC6A2SLC6A4CACNA2D1KMT2A
SCHEMBL3924 0.79 SLC6A4 (0.56) MAPK1SLC6A2SLC6A4KMT2AALDH1A1
SCHEMBL4146 0.79 SLC6A2 (0.58) SLC6A2SLC6A4CACNA2D1KMT2AALDH1A1
Oxalic Acid SCHEMBL3521 0.78 CACNA2D1 (0.52) MAPK1SLC6A2SLC6A4CACNA2D1KMT2A
SCHEMBL5080333 0.77 CACNA2D1 (0.57) SLC6A2SLC6A4CACNA2D1
SCHEMBL1535377 0.77 SLC6A2 (0.56) SLC6A2SLC6A4CACNA2D1KMT2AALDH1A1
SCHEMBL3312531 0.77 SLC6A2 (0.56) SLC6A2SLC6A4CACNA2D1KMT2AALDH1A1
SCHEMBL2741 0.77 SLC6A2 (0.56) SLC6A2SLC6A4CACNA2D1KMT2AALDH1A1
SCHEMBL3901 0.76 SLC6A4 (0.38) SLC6A2SLC6A4KMT2AALDH1A1KDM4E

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