SCHEMBL10359727

SCHEMBL10359727

CNC(CC(Oc1ccc(C(F)(F)F)cc1)c1cccs1)OC(=O)C(=O)OC(CC(Oc1ccc(C(F)(F)F)cc1)c1cccs1)NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
SLC6A2 P23975 3/20 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
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 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
TSHR P16473 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
SCHEMBL3994 0.88 L3MBTL1 (0.41) KMT2ASLC6A2NPC1RAB9ASLC6A4
SCHEMBL10155 0.88 TRPM8 (0.42) SLC7A5SLC6A2RAB9ATP53HPGD
SCHEMBL3800 0.87 CACNA2D1 (0.39) SLC7A5LMNASLC6A2SLC6A4TP53
SCHEMBL10539 0.83 SLC7A5 (0.52) SLC7A5MEN1KMT2ALMNASLC6A2
SCHEMBL3981 0.82 HTR1A (0.46) MEN1KMT2ALMNASLC6A2NPC1
SCHEMBL3555 0.81 OPRM1 (0.43) MEN1KMT2ALMNASLC6A2NPC1
SCHEMBL4739538 0.80 SLC6A9 (0.52) MEN1KMT2ALMNASLC6A2NPC1
SCHEMBL3891 0.80 SLC6A4 (0.47) KMT2ASLC6A2CYP2D6CYP2C19CYP3A4
SCHEMBL4739366 0.79 SLC6A9 (0.53) MEN1KMT2ALMNASLC6A2NPC1
Oxalic Acid SCHEMBL10359725 0.77 SLC6A2 (0.62) SLC7A5MEN1KMT2ALMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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