SCHEMBL11077541

SCHEMBL11077541

CC(C)(C)OC(=O)CN(C(=O)c1cccc(Cl)c1C(=O)C=S)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A3 Q01959 7/20 0.38
KCNH2 Q12809 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.35
REN P00797 1/20 0.35
OPRK1 P41145 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
SCHEMBL11077539 0.89 SLC6A9 (0.41) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL7277305 0.89 SLC6A9 (0.42) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL13001234 0.88 TSHR (0.40) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL11083435 0.84 SLC6A9 (0.45) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL7278211 0.81 SLC6A9 (0.41) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL7277297 0.80 SLC6A9 (0.41) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL7287646 0.79 MEN1 (0.42) SLC6A9SLC6A5TSHRSLC6A2SLC6A4
SCHEMBL13001257 0.77 TSHR (0.39) SLC6A9SLC6A5TSHRALDH1A1HTT
SCHEMBL7278204 0.76 SLC6A9 (0.36) SLC6A9SLC6A5TSHRHPGDSLC6A2
SCHEMBL11083431 0.73 SLC6A9 (0.45) SLC6A9SLC6A5TSHRHPGDSLC6A2

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
US-4479950-A Aroylaminoacid disulfides USV PHARMACEUTICAL CORPORATION (US) 1984-10-30 US disclosed
US-4347246-A Antihypertensive lactams USV PHARMACEUTICAL CORPORATION (US) 1982-08-31 US disclosed