SCHEMBL9957879

SCHEMBL9957879

Cc1ccc(-c2ccccn2)c(C(=O)N2CC3CCN(C(=O)OC(C)(C)C)CC32)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.50
HCRTR1 O43613 16/20 0.49
HCRTR2 O43614 12/20 0.49
USP30 Q70CQ3 1/20 0.48
SPR P35270 1/20 0.47

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
SCHEMBL9954840 0.93 HCRTR1 (0.53) GPR119HCRTR1HCRTR2USP30SPR
SCHEMBL9960673 0.93 HCRTR1 (0.53) GPR119HCRTR1HCRTR2USP30SPR
SCHEMBL9956117 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL9954691 0.86 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL9957752 0.80 HCRTR2 (0.59) HCRTR1HCRTR2SPR
SCHEMBL9956516 0.79 SPR (0.51) GPR119HCRTR1HCRTR2SPR
SCHEMBL9960638 0.78 GPR119 (0.46) GPR119HCRTR1HCRTR2USP30SPR
SCHEMBL9960641 0.78 GPR119 (0.46) GPR119HCRTR1HCRTR2USP30SPR
SCHEMBL1586112 0.78 HCRTR1 (0.52) GPR119HCRTR1HCRTR2USP30SPR
Hydrochloric Acid SCHEMBL9957445 0.77 HCRTR1 (0.48) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed