SCHEMBL7589899

SCHEMBL7589899

CCN1CCN(C#N)CC1c1ccccc1.COc1ccc2cc1-2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 12/20 0.45
P2RX7 Q99572 1/20 0.38
USP30 Q70CQ3 1/20 0.37
DPP4 P27487 1/20 0.37
KDM1A O60341 1/20 0.37
PDE4B Q07343 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL7582092 0.86 P2RX7 (0.40) NAAAP2RX7DPP4DRD2DRD3
SCHEMBL7587091 0.84 P2RX7 (0.41) P2RX7DPP4RAB9ADRD2DRD3
SCHEMBL7585483 0.82 P2RX7 (0.41) P2RX7DPP4PDE4BDRD2DRD3
SCHEMBL7583788 0.82 P2RX7 (0.41) P2RX7DPP4PDE4BRAB9ADRD2
SCHEMBL7582945 0.82 P2RX7 (0.41) P2RX7DPP4DRD2DRD3
SCHEMBL7590018 0.80 DRD2 (0.41) P2RX7ALDH1A1DRD2DRD3
SCHEMBL27419636 0.80 P2RX7 (0.40) P2RX7DPP4DRD2DRD3
SCHEMBL7583781 0.79 P2RX7 (0.51) P2RX7PDE4BKDM4ERAB9A
SCHEMBL7583792 0.78 DRD2 (0.41) P2RX7ALDH1A1DRD2DRD3
SCHEMBL7583803 0.77 DRD2 (0.39) P2RX7ALDH1A1DRD2DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN claimed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN claimed
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN disclosed
CN-1412661-A Chinese character name code keyboard input method LU YUSHAN (CN) 2003-04-23 CN disclosed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 CN disclosed