SCHEMBL7445385

SCHEMBL7445385

CC(O)c1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.47
PDE4B Q07343 7/20 0.47
PDE4C Q08493 7/20 0.47
PDE4D Q08499 7/20 0.47
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR3C1 P04150 2/20 0.38
KMO O15229 1/20 0.38
GRM4 Q14833 2/20 0.37
EPHB4 P54760 2/20 0.37
TOP1 P11387 1/20 0.37
ADORA2A P29274 1/20 0.37
PTGS2 P35354 1/20 0.36
UGT2B7 P16662 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
SCHEMBL7434938 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL7442526 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7438319 0.81 CCR1 (0.47) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7435290 0.79 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL29870078 0.78 MET (0.47) AKR1C3AKR1C2CCR1CCR8UGT2B7
SCHEMBL28098226 0.78 MET (0.47) AKR1C3AKR1C2CCR1CCR8UGT2B7
SCHEMBL6181290 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL7431186 0.76 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7445176 0.76 CCR1 (0.41) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7445568 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
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