SCHEMBL7053655

SCHEMBL7053655

CCCCNN1CCC(Cc2cccc(O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.41
HTR1A P08908 7/20 0.41
DRD1 P21728 7/20 0.41
DRD4 P21917 7/20 0.41
DRD5 P21918 7/20 0.41
DRD3 P35462 7/20 0.41
DRD2 P14416 6/20 0.41
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL7057125 0.82 CCR3 (0.46) KCNH2MEN1KMT2AMGLLDRD3
SCHEMBL7053670 0.82 CARM1 (0.43) KCNH2DRD2PRMT6
SCHEMBL2967942 0.71 OPRM1 (0.59) DRD3DRD2
SCHEMBL28052784 0.70 GRIN2D (0.53) MEN1KMT2AMGLL
SCHEMBL14143096 0.70 OPRM1 (0.60) DRD3DRD2
SCHEMBL3323940 0.69 PRMT6 (0.60) KCNH2MGLLPRMT6
SCHEMBL30503933 0.69 OPRM1 (0.51) MGLLDRD1DRD3DRD2
SCHEMBL27785492 0.68 GBA1 (0.62) DRD3DRD2
SCHEMBL17285992 0.68 CYP1A2 (0.58) KMT2ADRD3DRD2
SCHEMBL5888786 0.66 SIGMAR1 (0.75) KCNH2

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-2003028725-A1 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed