SCHEMBL7444288

SCHEMBL7444288

CCCCCCC(O)c1cc(-c2cccc(C(F)(F)F)c2)c2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.43
PDE4B Q07343 8/20 0.43
PDE4C Q08493 8/20 0.43
PDE4D Q08499 8/20 0.43
SUCNR1 Q9BXA5 1/20 0.40
TLR8 Q9NR97 1/20 0.39
KCNA5 P22460 2/20 0.39
CYP2C9 P11712 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FAAH O00519 1/20 0.38
TOP2A P11388 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PNMT P11086 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL7444021 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTLR8
SCHEMBL7441469 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTLR8
SCHEMBL7445548 0.76 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7449668 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7445568 0.72 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL7448506 0.72 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DSUCNR1
SCHEMBL7432926 0.70 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7441680 0.69 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7432915 0.69 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7443517 0.69 TOP1 (0.56) PDE4APDE4BPDE4CPDE4DCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed