SCHEMBL13548837

SCHEMBL13548837

CCC(C)(C)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.57
BACE1 P56817 8/20 0.57
BCHE P06276 6/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
SIGMAR1 Q99720 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
CCR3 P51677 1/20 0.50
CXCR3 P49682 1/20 0.50
MAOB P27338 1/20 0.49

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
SCHEMBL12844707 0.92 BACE1 (0.59) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL3307906 0.86 ACHE (0.62) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL1448701 0.81 ACHE (0.56) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL2498286 0.78 ACHE (0.73) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL4848458 0.78 MEN1 (0.55) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL360075 0.78 ACHE (0.68) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL2885290 0.78 BACE1 (0.64) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL13761943 0.78 BACE1 (0.64) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL8259147 0.78 BACE1 (0.64) ACHEBACE1BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL2766858 0.77 ACHE (0.71) ACHEBACE1BCHEMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed