SCHEMBL3377536

SCHEMBL3377536

CN(CC1CC(Oc2cccc(CN3CCCC3)c2F)C1)C(=O)OC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
BCHE P06276 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
POLB P06746 1/20 0.37
C5AR1 P21730 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
TSHR P16473 1/20 0.34
KAT2B Q92831 1/20 0.34
BAZ2B Q9UIF8 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
SCHEMBL3377159 0.90 HRH3 (0.41) KMT2AMEN1BCHEHRH3POLB
Hydrochloric Acid SCHEMBL3380052 0.89 HRH3 (0.39) KMT2AMEN1HRH3POLBKDM4E
Hydrochloric Acid SCHEMBL3380054 0.89 HRH3 (0.39) KMT2AMEN1HRH3POLBKDM4E
SCHEMBL3378145 0.89 KDM4E (0.45) KMT2AMEN1BCHEKDM4EALDH1A1
SCHEMBL3377784 0.87 MEN1 (0.46) KMT2AMEN1BCHEHRH3POLB
SCHEMBL3377782 0.87 MEN1 (0.46) KMT2AMEN1BCHEHRH3POLB
SCHEMBL3381553 0.85 MEN1 (0.43) KMT2AMEN1BCHEHRH3KDM4E
SCHEMBL3380259 0.82 HRH3 (0.45) KMT2AMEN1BCHEHRH3KDM4E
SCHEMBL3380460 0.81 KCNH2 (0.45) KMT2AMEN1BCHEHRH3KDM4E
SCHEMBL3380792 0.81 HRH3 (0.39) BCHEHRH3KDM4EALDH1A1KAT2B

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed