SCHEMBL6614765

SCHEMBL6614765

Cc1ccc(C(=O)N[C@@](N)(C(=NC#N)Nc2cccnc2)C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.55
ABCC9 O60706 5/20 0.50
KCNJ11 Q14654 5/20 0.50
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ABCC8 Q09428 4/20 0.43
KCNJ8 Q15842 4/20 0.43

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
SCHEMBL6612688 0.91 CYP11B1 (0.54) NAMPTABCC9KCNJ11RAB9ANPC1
SCHEMBL6642928 0.91 RAB9A (0.47) NAMPTABCC9KCNJ11RAB9ANPC1
SCHEMBL6669216 0.91 RAB9A (0.47) NAMPTABCC9KCNJ11RAB9ANPC1
SCHEMBL6614455 0.90 ABCC9 (0.52) NAMPTABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6609354 0.85 ABCC9 (0.53) NAMPTABCC9KCNJ11RAB9ANPC1
SCHEMBL6612062 0.82 NPC1 (0.41) RAB9ANPC1
SCHEMBL6613975 0.82 CYP11B1 (0.55) NAMPTABCC9KCNJ11RAB9ACYP11B1
SCHEMBL6668769 0.82 NAMPT (0.51) NAMPTABCC9KCNJ11RAB9ANPC1
SCHEMBL6611441 0.82 NAMPT (0.51) NAMPTABCC9KCNJ11RAB9ANPC1
SCHEMBL6611894 0.81 KCNJ11 (0.40) NAMPTABCC9KCNJ11RAB9ANPC1

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