SCHEMBL7445586

SCHEMBL7445586

CCCCCCc1cc(-c2ccccc2)c2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.53
PDE4B Q07343 10/20 0.50
PDE4C Q08493 9/20 0.50
PDE4D Q08499 9/20 0.50
PSMB5 P28074 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
TOP1 P11387 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
HSD11B1 P28845 1/20 0.41
SOAT1 P35610 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7439316 0.99 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPSMB5
SCHEMBL7445534 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPSMB5
SCHEMBL7438491 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DTRPV1
SCHEMBL7440477 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTRPV1
SCHEMBL7446525 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DTRPV1
SCHEMBL7443375 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPSMB5
SCHEMBL7440932 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTRPV1
SCHEMBL31026581 0.80 CCR1 (0.53) TRPV1TDP1L3MBTL1
SCHEMBL11686678 0.80 TRPV1 (0.59) TRPV1L3MBTL1
SCHEMBL31026591 0.80 CCR1 (0.53) TRPV1TDP1L3MBTL1

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