SCHEMBL16796715

SCHEMBL16796715

CNCc1cccc(C2=NCC(=O)Nc3c2[nH]c2ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.42
PRMT6 Q96LA8 6/20 0.39
HTR7 P34969 2/20 0.38
CHRM4 P08173 1/20 0.38
DRD2 P14416 1/20 0.38
EPHX2 P34913 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
PARP1 P09874 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16796578 0.87 P2RX4 (0.43) P2RX4HTR7CHRM4DRD2GABRA1
SCHEMBL16796602 0.87 P2RX4 (0.43) P2RX4HTR7CHRM4DRD2GABRA1
SCHEMBL16796604 0.86 P2RX4 (0.41) P2RX4HTR7CHRM4DRD2GABRA1
SCHEMBL16796643 0.85 METAP2 (0.44) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL16813006 0.83 P2RX4 (0.46) P2RX4HTR7CHRM4DRD2GABRA1
SCHEMBL16796638 0.83 P2RX4 (0.39) P2RX4HTR7CHRM4DRD2PARP1
SCHEMBL16796611 0.83 P2RX4 (0.39) P2RX4HTR7CHRM4DRD2GABRA1
SCHEMBL16796688 0.82 P2RX4 (0.47) P2RX4HTR7CHRM4DRD2GABRA1
SCHEMBL16812977 0.81 GABRA1 (0.51) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL16813008 0.81 P2RX4 (0.46) P2RX4HTR7CHRM4DRD2GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed