SCHEMBL3376704

SCHEMBL3376704

Cc1cc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)cc3)C2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
HRH3 Q9Y5N1 5/20 0.41
FFAR1 O14842 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ADRB2 P07550 3/20 0.38
MCHR1 Q99705 5/20 0.38
LSS P48449 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
SCHEMBL3378888 0.86 KCNH2 (0.45) KCNH2HRH3MEN1KMT2AADRB2
SCHEMBL3379775 0.86 KCNH2 (0.43) KCNH2HRH3MEN1KMT2AADRB2
SCHEMBL3378350 0.83 KCNH2 (0.44) KCNH2HRH3FFAR1MEN1KMT2A
SCHEMBL3377403 0.81 KMT2A (0.44) KCNH2HRH3MEN1KMT2AADRB2
SCHEMBL3380776 0.80 HRH3 (0.47) KCNH2HRH3ADRB2LSS
SCHEMBL3380081 0.80 HRH3 (0.47) KCNH2HRH3MEN1KMT2AADRB2
SCHEMBL3378010 0.79 HRH3 (0.49) HRH3MEN1KMT2AADRB2
SCHEMBL3376176 0.79 HRH3 (0.53) KCNH2HRH3MEN1KMT2AADRB2
SCHEMBL3378007 0.79 HRH3 (0.49) HRH3MEN1KMT2AADRB2
SCHEMBL3380337 0.79 KCNH2 (0.42) KCNH2HRH3FFAR1MEN1KMT2A

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