SCHEMBL5792001

SCHEMBL5792001

O=C1C=CC(C2CCNC2)=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
PLG P00747 2/20 0.33
JAK3 P52333 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL8958702 0.67 CHRM5 (0.36) MAOAMAOB
SCHEMBL11768638 0.66 CYP2D6 (0.40) HTR3AMAOAMAOBHTR2A
SCHEMBL18945784 0.64 HTR3A (0.39) HTR3AHTR2AHTR2C
SCHEMBL27307555 0.62 HTR3A (0.37) HTR3AHTR2AHTR2C
SCHEMBL18945740 0.61 HTR2A (0.39) HTR3AHTR2AHTR2C
SCHEMBL16874832 0.60 MAPT (0.39) MAPTTHRBGABRA1GABRG2GABRB3
SCHEMBL23706644 0.59
SCHEMBL495695 0.57 SLC18A3 (0.75) HTR3AJAK3
SCHEMBL495697 0.57 SLC18A3 (0.75) HTR3AJAK3
SCHEMBL4122 0.57 SLC18A3 (0.75) HTR3AJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 EP disclosed
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP disclosed
EP-0720600-B1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ICOS CORP (US) 2000-07-12 EP disclosed
EP-0720600-A1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO WELLCOME INC. (US) 1996-07-10 EP disclosed
WO-1995008534-A1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO WELLCOME INC. (US) 1995-03-30 WO disclosed