SCHEMBL9725764

SCHEMBL9725764

CNC(C[C@H](Oc1cccc2ccccc12)c1cccs1)OC(=O)/C=C\C(=O)OC(C[C@H](Oc1cccc2ccccc12)c1cccs1)NC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.58
SLC6A4 P31645 11/20 0.58
SLC6A3 Q01959 9/20 0.58
HTR1A P08908 2/20 0.58
MLNR O43193 1/20 0.58
CACNA1F O60840 1/20 0.58
CYP1A2 P05177 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
DRD2 P14416 1/20 0.58
KCNE1 P15382 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
MC4R P32245 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL3413 1.00 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4108375 1.00 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2014600 0.91 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3336 0.91 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3325 0.87 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4106328 0.85 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4620899 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3760527 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4621205 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL5318542 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AMLNR

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
JP-4226948-A None JP disclosed
EP-2125772-B1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT (HU) 2013-09-11 EP disclosed
JP-H04226948-A CHIRAL SYNTHESIS OF 1-ARYL-3-AMINOPROPANE-1-OL ELI LILLY & CO 1992-08-17 JP disclosed
EP-0457559-A2 Chiral synthesis of 1-aryl-3-aminopropan-1-ols ELI LILLY AND COMPANY (US) 1991-11-21 EP disclosed