SCHEMBL689873

SCHEMBL689873

c1nnnn1N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL977874 0.98 ALDH1A1 (0.33) ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL4062543 0.65
Hydrochloric Acid SCHEMBL28821719 0.65
SCHEMBL956232 0.63
SCHEMBL29220885 0.62
Hydrochloric Acid SCHEMBL30724670 0.60
SCHEMBL5271545 0.59
SCHEMBL3658220 0.58 MGLL (0.40) ALDH1A1MEN1KMT2A
SCHEMBL2807354 0.58 MGLL (0.40) ALDH1A1MEN1KMT2A
SCHEMBL726729 0.58 MGLL (0.40) ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951718-B9 4-OXADIAZOLYL-PIPERIDINE COMPOUNDS AND USE THEREOF PURDUE PHARMA LP (US) 2012-08-15 EP disclosed
EP-1951718-B1 4-OXADIAZOLYL-PIPERIDINE COMPOUNDS AND USE THEREOF PURDUE PHARMA LP (US) 2012-02-29 EP disclosed
US-5348960-A Inhibitors of ADP-induced blood platelet aggregation, antithrombogenic BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US disclosed