SCHEMBL14064253

SCHEMBL14064253

CNC1CCOc2cc(CN)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.44
CD274 Q9NZQ7 1/20 0.41
HTR1A P08908 1/20 0.35
PDPK1 O15530 1/20 0.35
MAP3K14 Q99558 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NCF1 P14598 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL3585192 0.81 BDKRB1 (0.49) BDKRB1
SCHEMBL3585187 0.81 BDKRB1 (0.49) BDKRB1
SCHEMBL14518509 0.80 KDM4E (0.41) PDPK1MAP3K14
SCHEMBL3593320 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL3593313 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL28449906 0.77 ADRA2A (0.47) PDPK1MAP3K14
SCHEMBL7366724 0.77 MAP3K14 (0.59) BDKRB1CD274HTR1AMAP3K14NCF1
SCHEMBL29920817 0.77 ADRA2A (0.47) HTR1APDPK1MAP3K14TRPV1
SCHEMBL22997177 0.74 PDPK1 (0.52) PDPK1
SCHEMBL130896 0.74 PDPK1 (0.52) PDPK1

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
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed