SCHEMBL8310485

SCHEMBL8310485

BC(=O)N1CCC(CCC)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.44
GNAO1 P09471 3/20 0.44
GNAI1 P63096 3/20 0.44
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL12641 0.82 GNAI3 (0.45) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL12016032 0.82 GNAI3 (0.45) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL772816 0.80 GNAI3 (0.44) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL14814157 0.80 GNAI3 (0.44) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL4518519 0.80 GNAI3 (0.51) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL10274497 0.78 GNAI3 (0.58) GNAI3GNAO1GNAI1HSD11B1ALDH1A1
SCHEMBL18997472 0.78 GNAI3 (0.43) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL24550501 0.77 ALDH1A1 (0.61) GNAI3GNAO1GNAI1POLBHSD11B1
SCHEMBL18513691 0.77 FAAH (0.48) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL14330457 0.77 EPHX1 (0.46) GNAI3GNAO1GNAI1POLBHPGD

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-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed