SCHEMBL14287697

SCHEMBL14287697

CN(C)CCCOc1ccc2c(c1)CCN(Cc1cccnc1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.49
▸ MOGAT2 Q3SYC2 4/20 0.45
▸ ACACB O00763 4/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 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
SCHEMBL14287694 0.82 HRH3 (0.49) HRH3ACACBDRD2KCNH2PRMT5
SCHEMBL14287690 0.79 HRH3 (0.61) HRH3DRD2
SCHEMBL14287689 0.79 HRH3 (0.68) HRH3ACACBSMN1; SMN2
SCHEMBL14287695 0.76 HRH3 (0.69) HRH3
SCHEMBL6972852 0.75 DRD2 (0.57) DRD2KCNH2PRMT5WDR77LMNA
SCHEMBL14287692 0.74 HRH3 (0.52) HRH3ACACB
SCHEMBL27876255 0.73 KCNA5 (0.63) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL3702304 0.72 OPRM1 (0.83) OPRM1OPRD1OPRK1
SCHEMBL23259283 0.72 HRH3 (0.65) HRH3ACACBOPRM1OPRD1OPRK1
SCHEMBL22755424 0.72 HRH3 (0.65) HRH3ACACBOPRM1OPRD1OPRK1

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
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