SCHEMBL3981

SCHEMBL3981

CNC(CC(Oc1ccc(C(F)(F)F)cc1)c1ccsc1)OC(=O)C(=O)OC(CC(Oc1ccc(C(F)(F)F)cc1)c1ccsc1)NC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
SLC6A4 P31645 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
NPC1 O15118 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MTOR P42345 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2C P28335 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4739538 0.84 SLC6A9 (0.52) HTR1ASLC6A4MEN1KMT2ALMNA
SCHEMBL4660 0.83 HTR1A (0.46) HTR1ASLC6A4MEN1KMT2ALMNA
SCHEMBL4739366 0.83 SLC6A9 (0.53) HTR1ASLC6A4MEN1KMT2ALMNA
SCHEMBL10359727 0.82 SLC7A5 (0.52) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL4736674 0.80 PDE2A (0.43) HTR1ASLC6A4MEN1KMT2ALMNA
SCHEMBL3555 0.78 OPRM1 (0.43) SLC6A4MEN1KMT2ALMNASLC6A2
Oxalic Acid SCHEMBL3980 0.77 SLC6A4 (0.64) HTR1ASLC6A4MEN1KMT2ALMNA
SCHEMBL4786637 0.74 SLC6A4 (0.48) HTR1ASLC6A4MEN1KMT2ALMNA
SCHEMBL3449 0.74 SLC6A2 (0.62) HTR1ASLC6A4KMT2ASLC6A2SLC6A3
Oxalic Acid SCHEMBL4659 0.73 SLC6A4 (0.64) HTR1ASLC6A4MEN1KMT2ANPC1

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 3 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