SCHEMBL9634665

SCHEMBL9634665

CCOCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.51
CYP1A2 P05177 7/20 0.47
CYP2C19 P33261 6/20 0.47
CYP2C9 P11712 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 5/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
USP2 O75604 3/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 2/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL9635886 0.88 SLC6A9 (0.48) SLC6A9CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL10384043 0.82 SSTR5 (0.48) CYP1A2CYP2C19CYP2C9LMNAALDH1A1
SCHEMBL10499179 0.81 MEN1 (0.61) CYP1A2CYP2C19CYP2C9ALDH1A1KDM4E
SCHEMBL9635883 0.80 MEN1 (0.47) SLC6A9CYP1A2CYP2C19CYP2C9LMNA
Fumaric Acid SCHEMBL9634708 0.79 SLC6A9 (0.42) SLC6A9CYP1A2CYP2C19CYP2C9LMNA
Oxalic Acid SCHEMBL9634639 0.79 SLC6A9 (0.60) SLC6A9CYP1A2CYP2C19CYP2C9LMNA
Oxalic Acid SCHEMBL9634632 0.79 SLC6A9 (0.60) SLC6A9CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9634452 0.79 CYP1A2 (0.47) SLC6A9CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9635884 0.78 SLC6A9 (0.64) SLC6A9LMNAALDH1A1MEN1KMT2A
SCHEMBL9204768 0.78 MEN1 (0.63) CYP1A2CYP2C19CYP2C9LMNAALDH1A1

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