SCHEMBL9687058

SCHEMBL9687058

CCOCCn1c(CCCN2CCNCC2)nc2cccnc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.57
ALDH1A1 P00352 1/20 0.47
TP53 P04637 2/20 0.41
HRH1 P35367 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9634663 0.97 SLC6A9 (0.56) SLC6A9ALDH1A1TP53HRH1MEN1
SCHEMBL9635008 0.95 SLC6A9 (0.55) SLC6A9ALDH1A1TP53HRH1MEN1
Fumaric Acid SCHEMBL9636082 0.92 SLC6A9 (0.52) SLC6A9ALDH1A1TP53HRH1MEN1
SCHEMBL9635855 0.89 SLC6A9 (0.64) SLC6A9ALDH1A1TP53MEN1TSHR
SCHEMBL9685805 0.89 SLC6A9 (0.61) SLC6A9ALDH1A1TP53HRH1MEN1
Fumaric Acid SCHEMBL9634756 0.89 SLC6A9 (0.51) SLC6A9ALDH1A1TP53MEN1KMT2A
SCHEMBL9686403 0.86 SLC6A9 (0.60) SLC6A9ALDH1A1TP53HRH1MEN1
SCHEMBL9687018 0.86 SLC6A9 (0.60) SLC6A9ALDH1A1MEN1TSHRKMT2A
SCHEMBL9635884 0.85 SLC6A9 (0.64) SLC6A9ALDH1A1MEN1TSHRKMT2A
Fumaric Acid SCHEMBL9634770 0.82 SLC6A9 (0.58) SLC6A9TP53MEN1TSHRKMT2A

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 2 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
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