SCHEMBL4960600

SCHEMBL4960600

COc1ccc(N(Cc2cncs2)c2cc(C(=O)O)ccc2OC(=O)C(F)(F)F)nc1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
RXRA P19793 1/20 0.34
LTC4S Q16873 6/20 0.34
PTK2 Q05397 1/20 0.32
CNR2 P34972 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
PDE4B Q07343 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL4139204 0.86 RXRA (0.38) FFAR4HRH4RXRALTC4SCNR2
SCHEMBL4139481 0.84 RXRA (0.41) FFAR4HRH4RXRALTC4SPDE4B
SCHEMBL4139206 0.83 FFAR4 (0.34) FFAR4HRH4RXRALTC4SPTK2
SCHEMBL16160338 0.77 LTC4S (0.36) FFAR4HRH4LTC4SCNR2PDE4B
SCHEMBL4139575 0.76 PDE4B (0.40) RXRAPDE4BPDE4APDE4CPDE4D
SCHEMBL3215050 0.73 RXRA (0.47) RXRALTC4SPDE4BPDE4APDE4C
SCHEMBL4140868 0.73 HRH4 (0.41) HRH4RXRA
Hydrochloric Acid SCHEMBL4141190 0.72 HRH4 (0.40) HRH4RXRA
SCHEMBL3207140 0.71 RXRA (0.43) RXRALTC4SPDE4BPDE4APDE4C
SCHEMBL3218504 0.71 LTC4S (0.46) RXRALTC4SPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO disclosed