SCHEMBL6669216

SCHEMBL6669216

CC(C)(C)[C@@](N)(NC(=O)c1ccc(I)cc1)C(=NC#N)Nc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
NAMPT P43490 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ABCC9 O60706 6/20 0.42
KCNJ11 Q14654 6/20 0.42
ABCC8 Q09428 4/20 0.42
KCNJ8 Q15842 4/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL6642928 1.00 RAB9A (0.47) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL6614765 0.91 NAMPT (0.55) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL6612688 0.90 CYP11B1 (0.54) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL6614455 0.85 ABCC9 (0.52) NAMPTABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6609354 0.84 ABCC9 (0.53) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL6613975 0.82 CYP11B1 (0.55) RAB9ACYP11B1CYP11B2NAMPTSMN1; SMN2
SCHEMBL6668769 0.81 NAMPT (0.51) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL6611441 0.81 NAMPT (0.51) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL5248410 0.80 NAMPT (0.45) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL6642934 0.79 RAB9A (0.42) RAB9ANPC1CYP11B1CYP11B2NAMPT

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