SCHEMBL3380491

SCHEMBL3380491

CNC(=O)OCC1CC(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
MAOB P27338 2/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RBP4 P02753 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL3380494 1.00 RORC (0.38) RORCKDM4EALDH1A1TDP1BCHE
SCHEMBL3379338 0.82 HRH3 (0.38) KDM4EALDH1A1BCHEACHEMAOB
SCHEMBL3379341 0.82 HRH3 (0.38) KDM4EALDH1A1BCHEACHEMAOB
SCHEMBL3377217 0.82 NCF1 (0.37) RORCKDM4EALDH1A1TDP1POLB
SCHEMBL3377214 0.82 NCF1 (0.37) RORCKDM4EALDH1A1TDP1POLB
SCHEMBL3442334 0.80 RORC (0.37) RORCKDM4EALDH1A1TDP1BCHE
SCHEMBL3377533 0.80 RORC (0.35) RORCKDM4EALDH1A1TDP1ACHE
SCHEMBL3442329 0.78 HRH3 (0.45) RORCKDM4EALDH1A1TDP1BCHE
SCHEMBL3442332 0.78 HRH3 (0.45) RORCKDM4EALDH1A1TDP1BCHE
SCHEMBL3378184 0.78 HRH3 (0.44) RORCKDM4EALDH1A1TDP1BCHE

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 disclosed