SCHEMBL4642038

SCHEMBL4642038

[O-][n+]1ccc(CCCCCc2ncc[nH]2)c(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
GPR84 Q9NQS5 4/20 0.35
TBXAS1 P24557 2/20 0.35
MGLL Q99685 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
SLC6A4 P31645 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5597451 0.81 HTT (0.39) NAMPTTBXAS1MAPTL3MBTL1MEN1
SCHEMBL7206821 0.73 NAMPT (0.36) NAMPTTBXAS1MAPTL3MBTL1NPC1
SCHEMBL5597308 0.71 NAMPT (0.36) NAMPTTBXAS1MAPTMEN1NPC1
SCHEMBL9370644 0.66 CHRM2 (0.46) NAMPTTBXAS1L3MBTL1MEN1KMT2A
SCHEMBL5597314 0.65 LRRK2 (0.37) TBXAS1NPC1RAB9ASLC6A4HTT
SCHEMBL503743 0.65 TBXAS1 (0.69) TBXAS1TAAR1SMN1; SMN2
SCHEMBL28062565 0.65 TBXAS1 (0.69) TBXAS1TAAR1SMN1; SMN2
SCHEMBL11701063 0.64 TAAR1 (0.53) NPC1RAB9ATAAR1SMN1; SMN2
SCHEMBL5597420 0.64 MRGPRX4 (0.40) MAPTMEN1KMT2ASLC6A4LMNA
SCHEMBL8466104 0.63 CHRM2 (0.53) NAMPTTAAR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed