SCHEMBL9727169

SCHEMBL9727169

COc1ccc(CN2CCC(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.59
KCNH2 Q12809 2/20 0.59
ACHE P22303 2/20 0.59
DRD4 P21917 3/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CCR3 P51677 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
UTS2R Q9UKP6 1/20 0.50

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
SCHEMBL9852126 0.94 MCHR1 (0.60) MCHR1KCNH2ACHEDRD4KDM4E
SCHEMBL9727231 0.86 MCHR1 (0.64) MCHR1KCNH2ACHEDRD4KDM4E
SCHEMBL9727177 0.84 DRD4 (0.54) MCHR1KCNH2ACHEDRD4CCR3
SCHEMBL9727091 0.84 DRD4 (0.70) MCHR1KCNH2ACHEDRD4KDM4E
SCHEMBL9727243 0.83 DRD4 (0.69) MCHR1KCNH2ACHEDRD4SIGMAR1
SCHEMBL9852064 0.82 MCHR1 (0.66) MCHR1KCNH2ACHEDRD4KDM4E
SCHEMBL9852237 0.82 DRD4 (0.57) MCHR1KCNH2ACHEDRD4CCR3
SCHEMBL16356190 0.80 DRD4 (0.59) MCHR1KCNH2ACHEDRD4KDM4E
SCHEMBL15171747 0.79 PRKAA2 (0.58) MCHR1KCNH2ACHEDRD4KDM4E
SCHEMBL16321291 0.77 MCHR1 (0.61) MCHR1KCNH2ACHEDRD4CCR3

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-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed