SCHEMBL16625964

SCHEMBL16625964

CCCCN1CCCC(C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.44
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL10511195 0.95 BCHE (0.40) BCHE
SCHEMBL9869321 0.89 GNAI3 (0.41) DRD2DRD3
SCHEMBL30379435 0.89 GNAI3 (0.41) DRD2DRD3
SCHEMBL16625896 0.86 GNAI3 (0.42) BCHE
SCHEMBL6920677 0.84 GNAO1 (0.47) BCHEDRD2DRD3
SCHEMBL16627390 0.83 GBA1 (0.41) BCHECYP2D6TSHRNFKB1CASP1
SCHEMBL17351087 0.83 GNAO1 (0.50) BCHEDRD2DRD3
SCHEMBL15884874 0.83 HRH2 (0.36) BCHETSHRDRD2DRD3
SCHEMBL18909474 0.82 DRD3 (0.44) CYP2D6TSHRNFKB1CASP1DRD2
SCHEMBL15998481 0.82 DRD3 (0.44) CYP2D6TSHRNFKB1CASP1DRD2

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