SCHEMBL1862926

SCHEMBL1862926

O[C@H]1CCN(N2CCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GPR119 Q8TDV5 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1231703 1.00 CA12 (0.39) CA12CA1CA2CA9GPR119
SCHEMBL2378473 0.90 CA12 (0.45) CA12CA1CA2CA9GPR119
SCHEMBL6646583 0.90 CA12 (0.48) CA12CA1CA2CA9GPR119
SCHEMBL14937974 0.87 CA12 (0.47) CA12CA1CA2CA9TSHR
SCHEMBL3377039 0.87 CA12 (0.47) CA12CA1CA2CA9TSHR
SCHEMBL3381746 0.83 TSHR (0.42) GPR119TSHR
SCHEMBL27881190 0.83 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL2372804 0.83 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL5754253 0.79 CA12 (0.34) CA12CA1CA2CA9GPR119
SCHEMBL15917112 0.78 CA12 (0.33) CA12CA1CA2CA9

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
EP-2323651-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS Summit Corporation Plc (GB) 2011-05-25 EP disclosed
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed