SCHEMBL9499388

SCHEMBL9499388

CCSc1ccc(OC(CC(NC)OC(=O)/C=C\C(=O)OC(CC(Oc2ccc(SCC)cc2)c2ccccc2)NC)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
LMNA P02545 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MTOR P42345 2/20 0.34
RAB9A P51151 2/20 0.34
MDM4 O15151 1/20 0.34
MAPT P10636 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
Maleic Acid SCHEMBL9499382 0.76 SLC6A4 (0.59) SLC6A4LMNAMEN1KMT2ANPC1
Fumaric Acid SCHEMBL9499394 0.76 SLC6A4 (0.59) SLC6A4LMNAMEN1KMT2ANPC1
SCHEMBL16347642 0.75 SLC6A9 (0.47) SLC6A4PPARGPPARALMNAMEN1
SCHEMBL6491987 0.74 NOS2 (0.61) SLC6A4MEN1KMT2ACYP2D6CYP2C19
SCHEMBL5037911 0.73 SLC6A2 (0.36) SLC6A4LMNAMEN1KMT2ACYP2D6
SCHEMBL9184202 0.71 SLC6A2 (0.34) SLC6A4LMNAMEN1KMT2ACYP2D6
SCHEMBL6502150 0.71 SLC6A4 (0.40) SLC6A4HCAR2LMNAMEN1KMT2A
SCHEMBL7312423 0.69 SLC6A9 (0.46) HCAR2PPARGPPARAMEN1KMT2A
SCHEMBL4941291 0.69 SLC6A4 (0.47) SLC6A4PPARGPPARALMNAKMT2A
SCHEMBL6501564 0.69 NOS2 (0.47) SLC6A4LMNAMEN1KMT2ANPC1

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-5238959-A For inhibiting serotonin uptake, antidepressant, suppression of alcoholism and obesity ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0336753-B1 IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
EP-0336753-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed