SCHEMBL4649673

SCHEMBL4649673

CC(C(=O)NCC1CC(Oc2ccc(CN3CCCC3)cc2)C1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
FFAR1 O14842 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
KCNH2 Q12809 5/20 0.40
MCHR1 Q99705 4/20 0.40
THRB P10828 1/20 0.40
ADRB2 P07550 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL3378373 0.83 HRH3 (0.53) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3376165 0.83 CACNA1I (0.52) KMT2AALDH1A1CACNA1IKCNH2MCHR1
SCHEMBL4649043 0.80 HRH3 (0.50) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3376675 0.79 HRH3 (0.51) HRH3MEN1KMT2AALDH1A1KCNH2
SCHEMBL3377240 0.77 HRH3 (0.51) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3378855 0.77 HRH3 (0.48) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3378858 0.77 HRH3 (0.48) HRH3MEN1KMT2AKCNH2MCHR1
SCHEMBL3376794 0.77 ADRB2 (0.48) HRH3MEN1KMT2ACACNA1IKCNH2
SCHEMBL3377637 0.76 MEN1 (0.45) HRH3MEN1KMT2AALDH1A1KCNH2
SCHEMBL3377442 0.76 ADRB2 (0.49) 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 claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed