SCHEMBL3924

SCHEMBL3924

CN(C)C(CC(Oc1cccc2ccccc12)c1ccco1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)c1ccco1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.56
SLC6A2 P23975 7/20 0.56
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 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
SCHEMBL9747 0.82 SLC6A4 (0.61) SLC6A4SLC6A2KMT2AHSD17B10HPGD
SCHEMBL3530 0.81 POLB (0.44) KMT2AHSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL1535377 0.81 SLC6A2 (0.56) SLC6A4SLC6A2KMT2ALMNAMEN1
SCHEMBL3312531 0.81 SLC6A2 (0.56) SLC6A4SLC6A2KMT2ALMNAMEN1
SCHEMBL2741 0.81 SLC6A2 (0.56) SLC6A4SLC6A2KMT2ALMNAMEN1
SCHEMBL3563 0.80 SLC6A2 (0.56) SLC6A4SLC6A2KMT2AHTTOPRM1
SCHEMBL3901 0.80 SLC6A4 (0.38) SLC6A4SLC6A2KMT2ATSHRHPGD
SCHEMBL3964 0.79 CACNA2D1 (0.41) SLC6A4SLC6A2KMT2ATSHRHTT
SCHEMBL3522 0.79 MAPK1 (0.41) SLC6A4SLC6A2KMT2ASMN1; SMN2MAPT
SCHEMBL3820 0.79 SLC6A4 (0.39) SLC6A4SLC6A2KMT2ATSHRHTT

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