SCHEMBL18082563

SCHEMBL18082563

CC[C@H]1CCCN(CCOCCOC)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
OGFRL1 Q5TC84 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM2B Q8NHM5 1/20 0.34
KAT2B Q92831 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL24461460 0.90 BCHE (0.41) BCHEKDM4EKDM2BKAT2BMEN1
SCHEMBL12424240 0.90 BCHE (0.41) BCHEKDM4EKDM2BKAT2BMEN1
SCHEMBL3234907 0.86 MAPT (0.42) OGFRL1KDM4EHRH3KDM2BMEN1
SCHEMBL3234901 0.86 MAPT (0.42) OGFRL1KDM4EHRH3KDM2BMEN1
SCHEMBL17277355 0.84 KDM4E (0.39) BCHEKDM4EHRH3
SCHEMBL13102 0.81 KDM4E (0.54) KDM4EHRH3
SCHEMBL12449641 0.81 KDM4E (0.54) KDM4EHRH3
SCHEMBL18082565 0.80 GBA1 (0.38) KDM2BKAT2BMEN1KMT2A
SCHEMBL12458880 0.80 GBA1 (0.38) KDM2BKAT2BMEN1KMT2A
SCHEMBL18082571 0.79 BCHE (0.37) BCHEKDM2BKAT2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed