SCHEMBL5807182

SCHEMBL5807182

CCn1c(C)c(C)c2ccnc(N3CCC(c4ccccc4)CC3)c21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.46
AOC3 Q16853 3/20 0.40
DRD2 P14416 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DHFR P00374 2/20 0.38
SLC18A3 Q16572 1/20 0.36
PDE10A Q9Y233 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
Hydrochloric Acid SCHEMBL5806259 0.99 GRM2 (0.45) GRM2AOC3DRD2SLC6A3DHFR
SCHEMBL5797528 0.91 DRD2 (0.47) GRM2AOC3DRD2SLC6A3DHFR
Hydrochloric Acid SCHEMBL5810943 0.90 DRD2 (0.46) GRM2AOC3DRD2SLC6A3DHFR
SCHEMBL5811987 0.90 GRM2 (0.45) GRM2AOC3DRD2SLC6A3
Hydrochloric Acid SCHEMBL5808911 0.89 GRM2 (0.44) GRM2AOC3SLC6A3
SCHEMBL5809775 0.88 PDE3A (0.45) DRD2PDE10A
Hydrochloric Acid SCHEMBL5808739 0.88 GRM2 (0.48) GRM2AOC3DRD2SLC6A3DHFR
Hydrochloric Acid SCHEMBL5809323 0.87 PDE3A (0.44) DRD2PDE10A
SCHEMBL5810664 0.87 GRM2 (0.43) GRM2AOC3DRD2SLC6A3DHFR
Hydrochloric Acid SCHEMBL5810438 0.86 GRM2 (0.42) GRM2AOC3DRD2SLC6A3DHFR

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