SCHEMBL3378045

SCHEMBL3378045

CCS(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
P2RX7 Q99572 1/20 0.35
CXCR4 P61073 2/20 0.34
TP53 P04637 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
CYP2A13 Q16696 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
SCHEMBL3377771 0.95 KDM4E (0.38) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3376045 0.91 KDM4E (0.41) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377200 0.90 CXCR4 (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3380339 0.90 ALDH1A1 (0.37) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3376016 0.89 KDM4E (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377781 0.88 ALDH1A1 (0.41) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377477 0.88 KDM4E (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377734 0.88 CXCR4 (0.38) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377307 0.88 ALDH1A1 (0.37) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3380056 0.87 CXCR4 (0.45) KDM4EALDH1A1POLBHRH3MEN1

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