SCHEMBL3380460

SCHEMBL3380460

CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)OC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.45
MCHR1 Q99705 8/20 0.45
BCHE P06276 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
ADRB2 P07550 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3377352 0.87 HRH3 (0.51) KCNH2MCHR1BCHEHRH3ADRB2
SCHEMBL3378542 0.87 HRH3 (0.45) KCNH2MCHR1HRH3ADRB2MEN1
SCHEMBL3378007 0.85 HRH3 (0.49) BCHEHRH3ADRB2MEN1KMT2A
SCHEMBL3378010 0.85 HRH3 (0.49) BCHEHRH3ADRB2MEN1KMT2A
SCHEMBL3379213 0.84 KMT2A (0.36) KCNH2MCHR1BCHEHRH3ADRB2
SCHEMBL3377159 0.83 HRH3 (0.41) BCHEHRH3MEN1KMT2AKDM4E
SCHEMBL3380792 0.83 HRH3 (0.39) KCNH2MCHR1BCHEHRH3KDM4E
SCHEMBL3376176 0.82 HRH3 (0.53) KCNH2MCHR1HRH3ADRB2MEN1
SCHEMBL3380037 0.82 HRH3 (0.38) KCNH2MCHR1BCHEHRH3ADRB2
SCHEMBL3380259 0.81 HRH3 (0.45) KCNH2BCHEHRH3MEN1KMT2A

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