SCHEMBL14287686

SCHEMBL14287686

CCN(CC)CCCOc1ccc(CNCCCN2CCCC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CD274 Q9NZQ7 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
HRH3 Q9Y5N1 3/20 0.49
RAB9A P51151 1/20 0.47
ACHE P22303 1/20 0.43
ACACB O00763 1/20 0.43
DRD4 P21917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 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
SCHEMBL5092343 0.87 KMT2A (0.67) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL3039929 0.86 KMT2A (0.66) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL14197918 0.85 KMT2A (0.64) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL5098986 0.84 CD274 (0.66) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL5098402 0.84 KMT2A (0.62) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL14287685 0.83 HRH3 (0.65) KMT2AHRH3
SCHEMBL14287671 0.82 MEN1 (0.69) KMT2AMEN1CD274HRH3ACHE
SCHEMBL14287649 0.82 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2HRH3RAB9A
SCHEMBL5099092 0.82 KMT2A (0.60) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL14287666 0.80 HRH3 (0.54) HRH3

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
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed