SCHEMBL9644205

SCHEMBL9644205

CC(=CC#N)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRB2 P47870 2/20 0.42
GABRB1 P18505 1/20 0.42
RECQL P46063 1/20 0.34
PDE4A P27815 10/20 0.34
PDE4B Q07343 10/20 0.34
PDE4C Q08493 10/20 0.34
PDE4D Q08499 10/20 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
SCHEMBL9645499 1.00 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL5168262 0.80 PDE4A (0.49) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL31599571 0.80 PDE4A (0.49) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL8548467 0.80 PDE4A (0.49) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL625934 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL625933 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL625935 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL25342763 0.77 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL11761840 0.77 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16992765 0.77 MAPT (0.46) GABRA1GABRG2GABRB3GABRB2GABRB1

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-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP claimed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO claimed
EP-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP disclosed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO disclosed