SCHEMBL7449668

SCHEMBL7449668

Cc1cc(-c2cccc(C(F)(F)F)c2)c2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
PSMD14 O00487 1/20 0.50
COPS5 Q92905 1/20 0.50
CYP2C9 P11712 8/20 0.47
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TOP1 P11387 3/20 0.45
TOP2A P11388 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL7445548 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7432926 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7441680 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7440672 0.79 CCR1 (0.57) PDE4APDE4BPDE4CPDE4DPSMD14
SCHEMBL7440046 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPSMD14
SCHEMBL9086704 0.78 ADORA2A (0.43) ADORA2AADORA1TOP1TOP2ASLC40A1
SCHEMBL7432915 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL9089169 0.78 ADORA2A (0.39) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL15730622 0.77 PDE2A (0.49) ADORA2AADORA1TOP2A
SCHEMBL18434453 0.76 L3MBTL1 (0.57) PSMD14COPS5CYP2C9CCR1CCR5

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