SCHEMBL3732

SCHEMBL3732

CNC(CC(Oc1cccc2ccccc12)c1nccs1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)c1nccs1)NC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.63
SLC6A2 P23975 11/20 0.63
CACNA2D1 P54289 5/20 0.52
SLC6A3 Q01959 3/20 0.43
MLNR O43193 1/20 0.43
CACNA1F O60840 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
KCNE1 P15382 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MC4R P32245 1/20 0.43

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
SCHEMBL4146 0.84 SLC6A2 (0.58) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL3336 0.82 SLC6A2 (0.61) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL2014600 0.82 SLC6A2 (0.61) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL3449 0.80 SLC6A2 (0.62) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
Oxalic Acid SCHEMBL3731 0.79 SLC6A4 (0.88) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL3771 0.79 SLC6A4 (0.45) SLC6A4SLC6A2CACNA2D1
SCHEMBL9747 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Oxalic Acid SCHEMBL4145 0.75 SLC6A2 (0.64) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL5869367 0.74 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
SCHEMBL6560839 0.74 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3MLNRCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654264-B1 Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence LILLY CO ELI (US) 2001-05-30 EP disclosed
EP-0654264-A1 Treatment of incontinence with venlafaxine or an aryloxy propanamine compound ELI LILLY AND COMPANY (US) 1995-05-24 EP disclosed
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