SCHEMBL7587657

SCHEMBL7587657

CCN1CCN([S+]([O-])Cc2ccc(OC)c(-c3ccccc3)c2)CC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
P2RX7 Q99572 1/20 0.37
DRD2 P14416 10/20 0.35
DRD3 P35462 10/20 0.35
HTR7 P34969 1/20 0.34
LMNA P02545 2/20 0.34
PDE4B Q07343 2/20 0.34
HTT P42858 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
NAAA Q02083 2/20 0.33

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
SCHEMBL27419636 0.82 P2RX7 (0.40) DPP4P2RX7DRD2DRD3HTR7
SCHEMBL7581298 0.76 HTR7 (0.35) DPP4DRD2DRD3HTR7PDE4B
SCHEMBL7587091 0.74 P2RX7 (0.41) DPP4P2RX7DRD2DRD3HTR7
SCHEMBL7582945 0.74 P2RX7 (0.41) DPP4P2RX7DRD2DRD3HTR7
SCHEMBL7582092 0.73 P2RX7 (0.40) DPP4P2RX7DRD2DRD3NAAA
SCHEMBL7583788 0.72 P2RX7 (0.41) DPP4P2RX7DRD2DRD3HTR7
SCHEMBL7585483 0.72 P2RX7 (0.41) DPP4P2RX7DRD2DRD3LMNA
Ethane SCHEMBL7584694 0.71 P2RX7 (0.39) P2RX7
Methane SCHEMBL7582930 0.71 P2RX7 (0.39) P2RX7
SCHEMBL7589899 0.71 NAAA (0.45) DPP4P2RX7DRD2DRD3PDE4B

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-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed