SCHEMBL4645798

SCHEMBL4645798

COC(C)CC(=O)NCC1CC(Oc2ccc(CN3CCCC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 4/20 0.44
MCHR1 Q99705 4/20 0.44
FAAH O00519 3/20 0.43
ACHE P22303 3/20 0.43
ADRB2 P07550 3/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL3377240 0.91 HRH3 (0.51) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL4649043 0.86 HRH3 (0.50) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3379190 0.85 FAAH (0.51) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3377442 0.85 ADRB2 (0.49) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3378373 0.84 HRH3 (0.53) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3376675 0.84 HRH3 (0.51) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3380004 0.84 POLB (0.46) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3378855 0.82 HRH3 (0.48) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3378858 0.82 HRH3 (0.48) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3377693 0.81 FAAH (0.47) HRH3MEN1KMT2AKCNH2MCHR1

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