SCHEMBL9636347

SCHEMBL9636347

CCOC(=O)N1CCN(Cc2nc3cccnc3n2Cc2ccc(C)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 9/20 0.46
MAPT P10636 2/20 0.46
MPI P34949 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL9539942 0.88 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9684792 0.84 CHRM5 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9685729 0.84 SLC6A9 (0.59) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL9629457 0.84 CHRM4 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9634656 0.84 FAAH (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL9635946 0.83 SLC6A9 (0.55) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Fumaric Acid SCHEMBL9636448 0.83 CHRM5 (0.52) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL9687543 0.82 NOS2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9685945 0.81 NPC1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL9634992 0.80 CHRM5 (0.41) ALDH1A1KDM4EHIF1ASMN1; SMN2NPC1

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-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed