SCHEMBL17801066

SCHEMBL17801066

O=C(O)N1CCCC1c1nnc(-c2ccc3c(c2)c(Br)nn3C2CCCCO2)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.40
HCRTR2 O43614 16/20 0.40
USP30 Q70CQ3 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL17801065 0.89 ALDH1A1 (0.46) HCRTR1HCRTR2
SCHEMBL17801026 0.86 USP30 (0.37) HCRTR1HCRTR2USP30RXRARXRB
SCHEMBL17801089 0.76 ALDH1A1 (0.42) HCRTR1HCRTR2
SCHEMBL17801073 0.75 TLR8 (0.35) RXRARXRBRXRG
SCHEMBL17801094 0.75 PLK1 (0.35) RXRARXRBRXRG
SCHEMBL17801039 0.74 HCAR3 (0.43) RXRARXRBRXRG
SCHEMBL3366778 0.73 HCRTR1 (0.58) HCRTR1HCRTR2USP30HSD11B1
SCHEMBL3370370 0.72 HCRTR1 (0.60) HCRTR1HCRTR2USP30HSD11B1
SCHEMBL17801031 0.72 CNR2 (0.35) RXRARXRBRXRG
SCHEMBL3659576 0.72 HCRTR1 (0.50) HCRTR1HCRTR2USP30HSD11B1

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed