SCHEMBL17826908

SCHEMBL17826908

CC(CNC(=O)OC(C)(C)C)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
TRPV1 Q8NER1 2/20 0.48
CAMK2D Q13557 1/20 0.47
AAK1 Q2M2I8 3/20 0.46
NR4A2 P43354 1/20 0.45
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
GUSB P08236 1/20 0.39

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
SCHEMBL17826925 0.91 AAK1 (0.46) MTNR1AMTNR1BTRPV1CAMK2DAAK1
SCHEMBL3334684 0.88 AAK1 (0.45) MTNR1AMTNR1BCAMK2DAAK1NR4A2
SCHEMBL3334978 0.87 NR4A2 (0.44) MTNR1AMTNR1BCAMK2DAAK1NR4A2
SCHEMBL3333209 0.87 NR4A2 (0.44) MTNR1AMTNR1BTRPV1CAMK2DAAK1
SCHEMBL13301894 0.86 CAMK2D (0.41) MTNR1AMTNR1BTRPV1CAMK2DAAK1
SCHEMBL17826934 0.84 AAK1 (0.43) MTNR1AMTNR1BTRPV1CAMK2DAAK1
SCHEMBL23126845 0.84 MAPT (0.50) MTNR1AMTNR1BTRPV1CAMK2D
SCHEMBL29378369 0.84 MAPT (0.50) MTNR1AMTNR1BTRPV1CAMK2D
SCHEMBL28552129 0.84 MAPT (0.50) MTNR1AMTNR1BTRPV1CAMK2D
SCHEMBL14646943 0.83 CAMK2D (0.41) MTNR1AMTNR1BTRPV1CAMK2DAAK1

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
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed