SCHEMBL21562292

SCHEMBL21562292

CNC1=NCC(=O)N(C)c2ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
GAA P10253 1/20 0.65
TSPO P30536 1/20 0.65
GABRA1 P14867 9/20 0.62
GABRA5 P31644 9/20 0.62
GABRA2 P47869 9/20 0.62
GABRG2 P18507 8/20 0.62
GABRB3 P28472 8/20 0.62
GABRA3 P34903 8/20 0.62
GABRB2 P47870 6/20 0.62
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62
OPRK1 P41145 2/20 0.62

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
SCHEMBL21562410 0.84 LMNA (0.67) LMNAGAATSPOGABRA1GABRA5
SCHEMBL606235 0.84 LMNA (0.70) LMNAGAATSPOGABRA1GABRA5
Ro-54864 SCHEMBL29754019 0.79 LMNA (1.00) LMNAGAATSPOGABRA1GABRA5
Ro-54864 SCHEMBL60200 0.79 LMNA (1.00) LMNAGAATSPOGABRA1GABRA5
SCHEMBL21565184 0.78 LMNA (0.62) LMNAGAATSPOGABRA1GABRA5
SCHEMBL10414513 0.78 LMNA (0.74) LMNAGAATSPOGABRA1GABRA5
SCHEMBL11613904 0.78 LMNA (0.81) LMNAGAATSPOGABRA1GABRA5
Diazepam SCHEMBL1019217 0.77 GABRA1 (1.00) LMNAGAATSPOGABRA1GABRA5
Diazepam SCHEMBL29362687 0.77 GABRA1 (1.00) LMNAGAATSPOGABRA1GABRA5
Diazepam SCHEMBL21442 0.77 GABRA1 (1.00) LMNAGAATSPOGABRA1GABRA5

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-2019215426-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed