SCHEMBL7730745

SCHEMBL7730745

CCCCCCCCCCCCCCCCS(=O)(=O)Cl.CCS(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
CA2 P00918 6/20 0.48
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
EPHX2 P34913 1/20 0.40
CES1 P23141 3/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL7252868 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL94158 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL744300 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL9834817 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL11719482 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL11411801 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL1114761 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL743460 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL11381720 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2
SCHEMBL741780 0.97 FAAH (0.56) FAAHCA2TSHRTHRBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed