SCHEMBL9967794

SCHEMBL9967794

CCCCCCNC(=O)c1cccc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
P2RX7 Q99572 1/20 0.58
NAAA Q02083 3/20 0.55
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GRM5 P41594 1/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
DRD3 P35462 1/20 0.51
CNR1 P21554 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL30545065 0.91 HPGD (0.64) HPGDMAPK1NPSR1NAAALMNA
SCHEMBL29216695 0.85 LMNA (0.61) HPGDMAPK1NPSR1NAAALMNA
SCHEMBL18157897 0.84 LMNA (0.68) HPGDMAPK1NPSR1NAAALMNA
SCHEMBL10867674 0.84 HPGD (0.58) HPGDMAPK1NPSR1NAAALMNA
Tetrabuthylammonium SCHEMBL6027186 0.84 P2RX7 (0.50) HPGDMAPK1NPSR1P2RX7NAAA
SCHEMBL6451392 0.83 P2RX7 (0.67) HPGDP2RX7LMNAL3MBTL1KDM4E
SCHEMBL31500520 0.82 LMNA (0.57) HPGDMAPK1NPSR1NAAALMNA
SCHEMBL7969261 0.82 HPGD (0.56) HPGDMAPK1NPSR1NAAALMNA
SCHEMBL10707099 0.81 P2RX7 (0.65) HPGDP2RX7LMNAL3MBTL1KDM4E
SCHEMBL12163955 0.81 P2RX7 (0.69) HPGDNPSR1P2RX7LMNAKDM4E

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-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed