SCHEMBL7906155

SCHEMBL7906155

COc1ccc(C2(C)CNC(=O)CO2)cc1OCCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.53
PDE4B Q07343 3/20 0.53
MAOB P27338 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDE4A P27815 5/20 0.36
SIGMAR1 Q99720 4/20 0.36
PDE4C Q08493 2/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 2/20 0.35
EBP Q15125 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7916375 0.82 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CMAOA
SCHEMBL8312871 0.80 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7906256 0.74 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7914465 0.73 PDE4A (0.48) PDE4DPDE4BPDE4APDE4CMAPK1
SCHEMBL7916424 0.71 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL3548453 0.71 PDE4A (0.72) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL6585357 0.71 PDE4B (0.60) PDE4DPDE4BPDE4ASIGMAR1PDE4C
Daxalipram SCHEMBL450824 0.70 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CHPGD
Daxalipram SCHEMBL7760245 0.70 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CHPGD
Daxalipram SCHEMBL450823 0.70 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed