SCHEMBL8348183

SCHEMBL8348183

O=C1c2cc(Oc3ccc4ccccc4n3)ccc2OCC1Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.43
MAOB P27338 3/20 0.37
CYP19A1 P11511 2/20 0.36
SCN7A Q01118 5/20 0.35
KCNH2 Q12809 5/20 0.35
PDE4D Q08499 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL8461585 0.87 PDE10A (0.50) LTB4RPDE10A
SCHEMBL8465133 0.81 CYP19A1 (0.55) MAOBCYP19A1PDE4D
SCHEMBL8465603 0.76 MAOB (0.46) LTB4RMAOBCYP19A1PDE4D
SCHEMBL8465764 0.76 LTB4R (0.53) LTB4RMAOBPDE10A
SCHEMBL8465611 0.75 MAOB (0.55) MAOBCYP19A1
SCHEMBL14480625 0.74 SCN9A (0.52) MAOBKCNH2PDE4DSCN5ASCN2A
SCHEMBL8466345 0.73 LTB4R (0.66) LTB4RCYP19A1PDE10A
SCHEMBL8464260 0.73 LTB4R (0.66) LTB4RCYP19A1PDE10A
SCHEMBL8464264 0.73 LTB4R (0.66) LTB4RCYP19A1PDE10A
SCHEMBL14552636 0.72 CYP19A1 (0.43) LTB4RMAOBCYP19A1PDE4D

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
US-5952326-A Tetralin and chroman derivatives useful in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1999-09-14 US disclosed
US-5698550-A Tetralin and chroman derivatives useful in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1997-12-16 US disclosed
EP-0441515-B1 Tetralin and chroman derivatives in the treatment of asthma, arthritis and related diseases PFIZER (US) 1995-10-04 EP disclosed
WO-1991012253-A1 TETRALIN AND CHROMAN DERIVATIVES USEFUL IN THE TREATMENT OF ASTHMA, ARTHRITIS, AND RELATED DISEASES PFIZER INC. (US) 1991-08-22 WO disclosed
EP-0441515-A1 Tetralin and chroman derivatives in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1991-08-14 EP disclosed