SCHEMBL3497153

SCHEMBL3497153

CCN(C)Cc1coc(-c2ccc(Cn3cnc4ccccc43)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.53
CYP11B2 P19099 8/20 0.53
HTT P42858 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.48
TNF P01375 1/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PKM P14618 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
AGER Q15109 1/20 0.40
EDNRA P25101 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GRM2 Q14416 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
SCHEMBL3496472 0.92 CYP11B1 (0.55) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3498617 0.91 CYP11B1 (0.54) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496693 0.85 CYP11B1 (0.60) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496132 0.84 CYP11B1 (0.59) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496582 0.83 HTT (0.46) HTTSMN1; SMN2NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL3494289 0.83 CYP11B1 (0.57) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496503 0.82 DRD2 (0.56) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3188150 0.80 DRD2 (0.56) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3642459 0.80 CYP11B1 (0.54) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3495975 0.79 DRD2 (0.55) CYP11B1CYP11B2HTTLMNASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed