SCHEMBL14720171

SCHEMBL14720171

CC(C)N(C[C@@H]1CC[N+](C(=O)O)(C(C)(C)C)C1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
OPRD1 P41143 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.31
PDE6D O43924 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
LSS P48449 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14720616 0.86 LIMK2 (0.36) CNR1CNR2OPRD1NPSR1KMT2A
SCHEMBL14720494 0.77 LMNA (0.33) CNR1CNR2CHRM3LMNA
SCHEMBL14720757 0.77 CHRM3 (0.44) OPRD1CHRM2CHRM3LMNA
SCHEMBL14720096 0.76 OXTR (0.32) KMT2A
SCHEMBL14720417 0.76 HDAC3 (0.41) KMT2AALDH1A1LMNAHDAC3HDAC1
SCHEMBL14720555 0.72 FASN (0.37) KMT2ALSS
SCHEMBL14720668 0.71 OPRD1 (0.39) OPRD1KMT2APDE6DCHRM2CHRM3
SCHEMBL14720415 0.68 DRD2 (0.38) KMT2AALDH1A1LMNAMEN1
SCHEMBL14720339 0.65
SCHEMBL5997999 0.64 LMNA (0.41) NPSR1ALDH1A1LMNASMN1; SMN2HDAC3

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