SCHEMBL5797528

SCHEMBL5797528

CCCn1c(C)c(C)c2ccnc(N3CCC(c4ccccc4)CC3)c21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
GRM2 Q14416 8/20 0.44
AOC3 Q16853 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DHFR P00374 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
SLC18A3 Q16572 1/20 0.36

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
Hydrochloric Acid SCHEMBL5810943 0.99 DRD2 (0.46) DRD2GRM2AOC3DRD4DRD3
SCHEMBL5807182 0.91 GRM2 (0.46) DRD2GRM2AOC3DHFRSLC6A3
Hydrochloric Acid SCHEMBL5806259 0.90 GRM2 (0.45) DRD2GRM2AOC3DHFRSLC6A3
SCHEMBL5795860 0.89 DRD2 (0.48) DRD2DRD4DRD3DRD1DRD5
Hydrochloric Acid SCHEMBL5806310 0.88 GRM2 (0.42) DRD2GRM2AOC3DRD4DRD3
Hydrochloric Acid SCHEMBL5806331 0.88 DRD2 (0.47) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5811987 0.88 GRM2 (0.45) DRD2GRM2AOC3SLC6A3
Hydrochloric Acid SCHEMBL5810183 0.87 GRM2 (0.42) DRD2GRM2AOC3DRD4DRD3
Hydrochloric Acid SCHEMBL5808911 0.87 GRM2 (0.44) GRM2AOC3SLC6A3
SCHEMBL5798021 0.86 SMN1; SMN2 (0.47) GRM2PRMT6

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed