SCHEMBL14720494

SCHEMBL14720494

CC(C)(C)[N+]1(C(=O)O)CC[C@@H](CN(C(=O)c2ccc(Br)cc2)c2cnccn2)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CHRM3 P20309 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
PTGIR P43119 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL14720757 0.86 CHRM3 (0.44) LMNACHRM3HDAC8PTGIR
SCHEMBL14720616 0.80 LIMK2 (0.36) CNR1CNR2
SCHEMBL14720171 0.77 CNR1 (0.33) LMNACHRM3CNR1CNR2
SCHEMBL14720407 0.74 CHRM3 (0.39) LMNACHRM3PTGIR
SCHEMBL14720417 0.71 HDAC3 (0.41) LMNAHDAC8
SCHEMBL14720215 0.70 GRIN2B (0.44) LMNACHRM3
SCHEMBL14720555 0.67 FASN (0.37)
SCHEMBL14720167 0.65 CYP3A4 (0.46) LMNA
SCHEMBL20549605 0.64 RAB9A (0.42) LMNA
SCHEMBL14720415 0.64 DRD2 (0.38) LMNA

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