SCHEMBL4648545

SCHEMBL4648545

O=C(NCC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)c1cccc(CF)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.44
KCNH2 Q12809 2/20 0.44
HRH1 P35367 2/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
BCHE P06276 1/20 0.41
CACNA1I Q9P0X4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CCR2 P41597 2/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL4646463 0.85 HDAC3 (0.44) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4644327 0.81 CCR3 (0.47) CCR3NPC1
SCHEMBL3430594 0.80 GSK3B (0.45) CCR3KCNH2HRH1ALDH1A1GSK3B
SCHEMBL4649156 0.79 HRH3 (0.43) CCR3KCNH2HRH1BCHEGSK3B
SCHEMBL4648508 0.77 ALDH1A1 (0.40) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4646898 0.76 POLB (0.36) CCR3KCNH2HRH1NPC1
SCHEMBL3379505 0.75 HRH3 (0.43) CCR3KCNH2HRH1ALDH1A1KDM4E
SCHEMBL3378463 0.75 HRH3 (0.43) CCR3KCNH2HRH1ALDH1A1KDM4E
SCHEMBL3378456 0.75 HRH3 (0.39) CCR3KCNH2HRH1ALDH1A1KDM4E
SCHEMBL4648701 0.75 P2RX7 (0.45) CCR3KCNH2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed