SCHEMBL7310728

SCHEMBL7310728

Cc1ccc(OC(CC(N)OC(=O)C(=O)OC(N)CC(Oc2ccc(C)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.49
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HTR1A P08908 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A4 P31645 3/20 0.38
LMNA P02545 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL5027210 0.95 SLC6A9 (0.47) SLC6A9PPARGPPARAHTR1ANPSR1
SCHEMBL4936018 0.92 CYP1A2 (0.43) SLC6A9PPARGPPARAHTR1ANPSR1
SCHEMBL7318669 0.86 SLC6A4 (0.49) SLC6A9PPARGPPARAHTR1ASLC6A4
SCHEMBL7409524 0.86 SLC6A4 (0.49) SLC6A9PPARGPPARAHTR1ANPSR1
SCHEMBL7306077 0.83 SLC6A4 (0.59) SLC6A9ALDH1A1HPGDSLC6A4LMNA
SCHEMBL16347642 0.82 SLC6A9 (0.47) SLC6A9PPARGPPARAHTR1ANPSR1
SCHEMBL7310188 0.82 LMNA (0.47) SLC6A4LMNA
SCHEMBL143604 0.82 SLC6A9 (0.45) SLC6A9PPARGPPARAHTR1ASLC6A4
SCHEMBL7317062 0.80 SLC6A4 (0.54) PPARGPPARAALDH1A1HPGDSLC6A4
SCHEMBL5533205 0.80 SLC6A9 (0.46) SLC6A9HTR1ANPSR1SLC6A4

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
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed