SCHEMBL16625896

SCHEMBL16625896

CCCCN1CCCC(C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.42
GNAO1 P09471 5/20 0.42
GNAI1 P63096 5/20 0.42
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL27756873 0.93 GNAO1 (0.47) GNAI3GNAO1GNAI1NOS3NOS1
SCHEMBL29532370 0.87 GNAO1 (0.55) GNAI3GNAO1GNAI1
SCHEMBL16625964 0.86 BCHE (0.44) BCHE
SCHEMBL29531997 0.86 GNAO1 (0.58) GNAI3GNAO1GNAI1
SCHEMBL28863184 0.83 GNAO1 (0.40) GNAI3GNAO1GNAI1NOS3NOS1
SCHEMBL30379435 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1
SCHEMBL9869321 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1
SCHEMBL24789538 0.82 HRH3 (0.39) HRH3POLBNOS3NOS1NOS2
SCHEMBL10511195 0.81 BCHE (0.40) MAPTBCHE
SCHEMBL13167818 0.81 HRH3 (0.45) GNAI3GNAO1GNAI1HRH3NOS3

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-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed