SCHEMBL9634679

SCHEMBL9634679

CCOCCn1c(CCN2CCN(C(=O)OCC)CC2)nc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.54
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
HRH1 P35367 6/20 0.46
HRH2 P25021 5/20 0.46
TP53 P04637 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9635008 0.83 SLC6A9 (0.55) SLC6A9HRH1TP53ALDH1A1KMT2A
SCHEMBL9685805 0.82 SLC6A9 (0.61) SLC6A9HRH1TP53ALDH1A1KMT2A
SCHEMBL9538793 0.81 NOS2 (0.48) SLC6A9HTR3EHTR3BHTR3AHTR3D
SCHEMBL9634656 0.81 FAAH (0.52) SLC6A9HTR3EHTR3BHTR3AHTR3D
Oxalic Acid SCHEMBL9870147 0.81 SLC6A9 (0.66) SLC6A9TP53KDM4EALDH1A1KMT2A
Oxalic Acid SCHEMBL9870156 0.81 SLC6A9 (0.66) SLC6A9TP53KDM4EALDH1A1KMT2A
SCHEMBL9686403 0.81 SLC6A9 (0.60) SLC6A9HRH1TP53ALDH1A1KMT2A
Fumaric Acid SCHEMBL9634676 0.80 SLC6A9 (0.56) SLC6A9TP53ALDH1A1KMT2A
Fumaric Acid SCHEMBL9634790 0.80 SLC6A9 (0.55) SLC6A9TP53ALDH1A1KMT2A
SCHEMBL9536529 0.79 NOS2 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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