SCHEMBL7445548

SCHEMBL7445548

CCc1cc(-c2cccc(C(F)(F)F)c2)c2ncccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.59
PDE4B Q07343 11/20 0.59
PDE4C Q08493 10/20 0.59
PDE4D Q08499 10/20 0.59
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP2C9 P11712 4/20 0.44
SLC40A1 Q9NP59 1/20 0.43
TOP1 P11387 2/20 0.43
PDE5A O76074 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
SCHEMBL7432915 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7449668 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL14565377 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7436994 0.81 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7432926 0.78 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7441680 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7444288 0.76 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7450694 0.76 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DTOP1
SCHEMBL24656114 0.76 PSMD14 (0.41) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL7434171 0.75 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA1

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