SCHEMBL9635895

SCHEMBL9635895

CCOCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2ncccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SLC6A9 P48067 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM2 Q14416 2/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL9634434 0.86 SLC6A9 (0.46) SLC6A9MEN1KMT2ATSHRLMNA
SCHEMBL10499179 0.85 MEN1 (0.61) MEN1KMT2ATSHRKDM4EGRM2
SCHEMBL9204768 0.83 MEN1 (0.63) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL9635883 0.81 MEN1 (0.47) SLC6A9MEN1KMT2ATSHRKDM4E
Oxalic Acid SCHEMBL9634632 0.78 SLC6A9 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Oxalic Acid SCHEMBL9634639 0.78 SLC6A9 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9635884 0.76 SLC6A9 (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10498575 0.76 MEN1 (0.72) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL10498885 0.76 MEN1 (0.61) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL9634665 0.76 SLC6A9 (0.51) SLC6A9MEN1KMT2ATSHRKDM4E

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