SCHEMBL3377477

SCHEMBL3377477

CC(C)S(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 4/20 0.36
P2RX7 Q99572 1/20 0.36
CXCR4 P61073 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL3376045 0.89 KDM4E (0.41) KDM4EALDH1A1POLBHRH3P2RX7
SCHEMBL3378045 0.88 KDM4E (0.40) KDM4EALDH1A1POLBHRH3P2RX7
SCHEMBL3376016 0.87 KDM4E (0.39) KDM4EALDH1A1POLBHRH3P2RX7
SCHEMBL3377781 0.86 ALDH1A1 (0.41) KDM4EALDH1A1POLBHRH3P2RX7
SCHEMBL3377771 0.86 KDM4E (0.38) KDM4EALDH1A1POLBHRH3P2RX7
SCHEMBL3380056 0.86 CXCR4 (0.45) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3379302 0.85 CXCR4 (0.42) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3376674 0.84 CXCR4 (0.41) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3379997 0.84 CXCR4 (0.41) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3377307 0.84 ALDH1A1 (0.37) KDM4EALDH1A1POLBHRH3P2RX7

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