SCHEMBL6129010

SCHEMBL6129010

CC(C)(C)OC(=O)N1CCN(c2nc3cc([AsH2])ccc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
KCNH2 Q12809 1/20 0.52
MAP4K4 O95819 1/20 0.43
KIT P10721 2/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC2A1 P11166 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
PRMT5 O14744 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
SCHEMBL1777998 0.87 NAMPT (0.55) NAMPTKCNH2MAPTLMNA
SCHEMBL31569825 0.87 KCNH2 (0.57) NAMPTKCNH2MAP4K4KITCKS1B
SCHEMBL3700178 0.87 NAMPT (0.55) NAMPTKCNH2MAP4K4KITCKS1B
SCHEMBL17109172 0.86 NAMPT (0.55) NAMPTKCNH2MAP4K4KITCKS1B
SCHEMBL20767890 0.84 NAMPT (0.64) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL3698553 0.83 KCNH2 (0.61) NAMPTKCNH2MAP4K4KITMAPT
SCHEMBL15822587 0.82 KCNH2 (0.65) NAMPTKCNH2MAP4K4KITCKS1B
SCHEMBL13094481 0.81 MAPT (0.51) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL16306683 0.81 NAMPT (0.51) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL3076747 0.80 NAMPT (0.60) NAMPTKCNH2CKS1BSKP1SKP2

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-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed