SCHEMBL6880326

SCHEMBL6880326

CCN1CCN(CC)C(c2ccc([NH])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CHRNA7 P36544 1/20 0.32
DRD3 P35462 2/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAD52 P43351 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23491446 0.84 P2RX7 (0.39) P2RX7
Hydrochloric Acid SCHEMBL3670799 0.81 P2RX7 (0.51) P2RX7CHRNA7DRD3DRD2
SCHEMBL24835188 0.80 P2RX7 (0.37) P2RX7TMEM97SIGMAR1CHRNA7ALDH1A1
SCHEMBL4949268 0.75 CFB (0.36) CHRNA7DRD3DRD2
Hydrochloric Acid SCHEMBL3670800 0.70 P2RX7 (0.41) P2RX7SIGMAR1CHRNA7DRD3DRD2
SCHEMBL24427032 0.70 P2RX7 (0.41) P2RX7CHRNA7DRD3DRD2
SCHEMBL21988581 0.70 P2RX7 (0.47) P2RX7CHRNA7DRD3ALDH1A1DRD2
SCHEMBL2009102 0.69 DRD2 (0.53) DRD3DRD2
SCHEMBL7587091 0.69 P2RX7 (0.41) P2RX7DRD3DRD2MEN1KMT2A
SCHEMBL21590238 0.68 P2RX7 (0.39) P2RX7CHRNA7ALDH1A1MEN1KMT2A

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
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed