SCHEMBL13769765

SCHEMBL13769765

CC(C)(C)OC(=O)NCC1CCNc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.39
▸ ACACA Q13085 5/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL3720005 0.89 MTNR1A (0.38) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL3666516 0.81 EPHX2 (0.41) DRD2EPHX2MEN1NPC1HTT
SCHEMBL29923181 0.78 HTR1A (0.40) ACACBACACADRD2EPHX2MEN1
SCHEMBL29923228 0.78 HTR1A (0.40) ACACBACACADRD2EPHX2MEN1
SCHEMBL29923119 0.78 HTR1A (0.40) ACACBACACADRD2EPHX2MEN1
SCHEMBL27214605 0.78 HTR1A (0.40) ACACBACACADRD2EPHX2MEN1
SCHEMBL29923116 0.78 HTR1A (0.40) ACACBACACADRD2EPHX2MEN1
SCHEMBL19817054 0.77 GAA (0.40) ACACBACACADRD2EPHX2
SCHEMBL29866024 0.77 GAA (0.40) ACACBACACADRD2EPHX2
SCHEMBL13734927 0.77 ADRA2A (0.39) —

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-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 — — WO disclosed
Send feedback