SCHEMBL1880946

SCHEMBL1880946

NCC1CCCN1CCO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 3/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
S1PR4 O95977 1/20 0.34
OPRD1 P41143 2/20 0.33

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
SCHEMBL23702487 1.00 SPHK2 (0.36) SPHK2SPHK1L3MBTL1POLBHTT
SCHEMBL14509632 0.88 OPRD1 (0.42) SPHK2SPHK1L3MBTL1POLBADRA1D
SCHEMBL3429567 0.83 SPHK2 (0.47) SPHK2SPHK1L3MBTL1POLBHTT
SCHEMBL3427098 0.83 SPHK2 (0.47) SPHK2SPHK1L3MBTL1POLBHTT
SCHEMBL14509625 0.83 ALOX15 (0.35) SPHK2SPHK1HTTADRA1DADRA1A
SCHEMBL3431942 0.83 SPHK2 (0.47) SPHK2SPHK1L3MBTL1POLBHTT
SCHEMBL14509635 0.82 TSHR (0.33) SPHK2SPHK1L3MBTL1POLBADRA1D
SCHEMBL6636120 0.81 S1PR1 (0.41) SPHK2SPHK1L3MBTL1POLBHTT
SCHEMBL3429565 0.79 POLB (0.39) SPHK2SPHK1L3MBTL1POLBHTT
SCHEMBL12067113 0.79 SPHK2 (0.42) SPHK2SPHK1L3MBTL1POLBHTT

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-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed