SCHEMBL6645810

SCHEMBL6645810

CC(C)(CN)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=N[N+](=O)[O-])Nc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ABCC9 O60706 9/20 0.48
KCNJ11 Q14654 9/20 0.48
ABCC8 Q09428 6/20 0.48
KCNJ8 Q15842 6/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL4679762 0.79 ABCC9 (0.56) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4679754 0.79 ABCC9 (0.56) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6614054 0.76 NAMPT (0.55) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6642931 0.76 KCNJ11 (0.46) NAMPTNPC1RAB9AABCC9KCNJ11
SCHEMBL6616620 0.75 NAMPT (0.54) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4684715 0.72 ABCC9 (0.58) NAMPTLMNAABCC9KCNJ11ABCC8
SCHEMBL4684717 0.72 ABCC9 (0.58) NAMPTLMNAABCC9KCNJ11ABCC8
SCHEMBL7139265 0.72 ABCC9 (0.55) NAMPTNPC1RAB9ALMNAABCC9
SCHEMBL6645819 0.71 NAMPT (0.48) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4683344 0.71 ABCC9 (0.64) NAMPTLMNAABCC9KCNJ11ABCC8

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
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed