SCHEMBL14720757

SCHEMBL14720757

CC(C)(C)[N+]1(C(=O)O)CC[C@@H](CN(C(=O)c2ccc(Br)cc2)c2cccnc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.44
HTT P42858 1/20 0.38
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
ACHE P22303 1/20 0.33
CHRM2 P08172 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 2/20 0.32
CHRNA4 P43681 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL14720494 0.86 LMNA (0.33) CHRM3HDAC8LMNAPTGIR
SCHEMBL14720616 0.79 LIMK2 (0.36) ACHEOPRD1
SCHEMBL14720171 0.77 CNR1 (0.33) CHRM3CHRM2LMNAOPRD1
SCHEMBL14720449 0.74 CHRM3 (0.52) CHRM3HTTGAATSHRACHE
SCHEMBL14720167 0.72 CYP3A4 (0.46) TSHRLMNACYP3A4CYP2D6CYP2C9
SCHEMBL14720417 0.70 HDAC3 (0.41) HDAC8HDAC6LMNAMAPT
SCHEMBL2194496 0.69 TSHR (0.70) CHRM3HTTGAATSHRTRPV1
SCHEMBL14720555 0.67 FASN (0.37)
SCHEMBL14720215 0.63 GRIN2B (0.44) CHRM3GAALMNAMAPTCYP3A4
SCHEMBL13757418 0.62 HDAC8 (0.46) HTTGAATSHRHDAC8LMNA

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
WO-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed