SCHEMBL14720201

SCHEMBL14720201

O=C(O)N1CC[C@@H](CN(Cc2ccccc2)C(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PKM P14618 2/20 0.49
CHRM3 P20309 4/20 0.46
CHRM2 P08172 3/20 0.46
KMT2A Q03164 1/20 0.43
TACR3 P29371 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42

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
SCHEMBL14720344 0.86 OPRM1 (0.42)
SCHEMBL14720186 0.86 JAK2 (0.52) HDAC1HDAC6PKMKMT2A
SCHEMBL14720297 0.81 LIMK2 (0.48) CHRM3CHRM2KMT2A
SCHEMBL13739207 0.78 SMN1; SMN2 (0.46) CHRM3CHRM2TACR3
SCHEMBL13738435 0.78 SMN1; SMN2 (0.46) CHRM3CHRM2TACR3
SCHEMBL14720668 0.78 OPRD1 (0.39) CHRM3CHRM2KMT2A
SCHEMBL15668019 0.76 OPRM1 (0.48) TACR3
SCHEMBL15668020 0.76 OPRM1 (0.48) TACR3
SCHEMBL28208196 0.75 HDAC1 (0.64) HDAC1HDAC6PKMLPAR1LPAR5
SCHEMBL14720449 0.75 CHRM3 (0.52) CHRM3CHRM2KMT2A

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