SCHEMBL9685083

SCHEMBL9685083

O=P(O)(O)COC1CCC(n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 11/20 0.54
FDPS P14324 1/20 0.45
DGAT1 O75907 1/20 0.43
ADORA2A P29274 1/20 0.40
P2RY1 P47900 1/20 0.38

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
SCHEMBL9684255 0.87 ADCY5 (0.72) ADCY5ADORA2A
SCHEMBL9686498 0.86 ADCY5 (0.49) ADCY5FDPSDGAT1ADORA2AP2RY1
SCHEMBL9686502 0.85 ADCY5 (0.46) ADCY5FDPSDGAT1P2RY1
SCHEMBL9685322 0.84 YTHDC1 (0.60) ADCY5P2RY1
SCHEMBL9686090 0.83 ADCY5 (0.47) ADCY5FDPSDGAT1P2RY1
SCHEMBL10421735 0.79 ADCY5 (0.60) ADCY5ADORA2A
SCHEMBL15948724 0.79 ADCY5 (0.60) ADCY5ADORA2A
SCHEMBL9685206 0.77 FDPS (0.43) ADCY5FDPSDGAT1ADORA2AP2RY1
SCHEMBL24196376 0.75 ADORA2A (0.65) ADCY5ADORA2A
SCHEMBL10475247 0.75 ADCY5 (0.55) ADCY5DGAT1ADORA2A

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-0468119-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed