SCHEMBL6585574

SCHEMBL6585574

Cn1c(CN2CCNCC2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.67
DRD4 P21917 9/20 0.64
DRD2 P14416 6/20 0.64
DRD3 P35462 3/20 0.64
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.58
GFER P55789 1/20 0.58
KDM4E B2RXH2 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL7481715 0.99 GRM2 (0.65) GRM2DRD4DRD2DRD3LMNA
SCHEMBL6583086 0.95 GRM2 (0.61) GRM2DRD4DRD2DRD3LMNA
SCHEMBL5156990 0.89 GRM2 (0.81) GRM2DRD4DRD2DRD3LMNA
SCHEMBL14374007 0.86 GRM2 (0.72) GRM2DRD4DRD2DRD3LMNA
SCHEMBL4139937 0.85 GRM2 (0.70) GRM2DRD4DRD2DRD3LMNA
SCHEMBL4144179 0.82 GRM2 (0.75) GRM2DRD4DRD2DRD3LMNA
SCHEMBL15730124 0.82 GRM2 (0.71) GRM2DRD4DRD2DRD3LMNA
SCHEMBL18306578 0.82 POLB (0.51) GRM2DRD4DRD2DRD3LMNA
SCHEMBL8228148 0.82 ALDH1A1 (0.50) GRM2LMNAGAAPOLBSMN1; SMN2
SCHEMBL4162812 0.81 GRM2 (0.65) GRM2DRD4DRD2DRD3LMNA

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
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed