SCHEMBL22650731

SCHEMBL22650731

Nc1ccc(N2CCC=CC2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GCK P35557 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33

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
SCHEMBL23168342 0.74 MAPT (0.48) KDM4ESMN1; SMN2HDAC6
SCHEMBL24045798 0.74 NPC1 (0.38) ALOX5APFEN1
SCHEMBL24045716 0.73 FAAH (0.47)
SCHEMBL15875300 0.73 FAAH (0.47)
SCHEMBL23168410 0.72 FPR1 (0.45) KDM4ESMN1; SMN2PIK3CA
SCHEMBL24045762 0.72 EGLN1 (0.38) PIM1PIM3
SCHEMBL23168409 0.71 ALDH1A1 (0.53) KDM4ESMN1; SMN2HDAC6
SCHEMBL23168569 0.71 GAA (0.50) KDM4E
SCHEMBL24045705 0.71 BCHE (0.38) KDM4ESMN1; SMN2PIK3CAMTOR
SCHEMBL18291708 0.70 SMN1; SMN2 (0.42) CHRNB2CHRNA4KDM4EGCKGABRP

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed