SCHEMBL3380337

SCHEMBL3380337

CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)Oc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.42
MCHR1 Q99705 7/20 0.42
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 5/20 0.40
FFAR1 O14842 1/20 0.40
ADRB2 P07550 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3381197 0.88 HRH3 (0.39) KCNH2MCHR1HRH3ADRB2MEN1
SCHEMBL3375675 0.88 HRH3 (0.49) KCNH2ALDH1A1HRH3FFAR1MEN1
SCHEMBL3377403 0.86 KMT2A (0.44) KCNH2MCHR1HRH3ADRB2MEN1
SCHEMBL3378086 0.85 KCNH2 (0.44) KCNH2MCHR1ALDH1A1HRH3ADRB2
SCHEMBL3380018 0.84 ALDH1A1 (0.47) KCNH2MCHR1ALDH1A1MEN1KMT2A
SCHEMBL3378100 0.84 HRH3 (0.40) ALDH1A1HRH3FFAR1MEN1KMT2A
SCHEMBL3379775 0.82 KCNH2 (0.43) KCNH2MCHR1HRH3ADRB2MEN1
SCHEMBL3377718 0.81 KCNH2 (0.42) KCNH2MCHR1HRH3ADRB2MEN1
SCHEMBL3378010 0.80 HRH3 (0.49) HRH3ADRB2MEN1KMT2A
SCHEMBL3378007 0.80 HRH3 (0.49) HRH3ADRB2MEN1KMT2A

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