SCHEMBL4669528

SCHEMBL4669528

CCCCc1nc(Cl)c(C)c(CO)c1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
PSMB5 P28074 1/20 0.36

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
SCHEMBL611575 0.90 AGTR1 (0.42) AGTR1
SCHEMBL30604711 0.90 AGTR1 (0.42) AGTR1
SCHEMBL9543200 0.81 PDE4A (0.39) AGTR1PSMB5
SCHEMBL9268311 0.81 PSMB5 (0.37) PSMB5
SCHEMBL9276477 0.78 CCR2 (0.39)
SCHEMBL9308858 0.77
SCHEMBL9846036 0.77 GP6 (0.41)
SCHEMBL9539419 0.77
SCHEMBL9709728 0.77 PDE4A (0.42)
SCHEMBL4657272 0.76 AGTR1 (0.36) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996218-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
EP-1940441-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS Microbia, Inc. (US) 2008-07-09 EP disclosed
WO-2007101161-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2007-09-07 WO disclosed
WO-2007022531-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA INC (US) 2007-04-19 WO disclosed
WO-2007022531-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed