SCHEMBL17826934

SCHEMBL17826934

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
CAMK2D Q13557 1/20 0.42
NR4A2 P43354 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
GUSB P08236 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3333209 0.89 NR4A2 (0.44) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL3334978 0.89 NR4A2 (0.44) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL3334684 0.85 AAK1 (0.45) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL13301904 0.85 CAMK2D (0.43) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL14646918 0.84 NR4A2 (0.47) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL14646943 0.84 CAMK2D (0.41) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL17826908 0.84 MTNR1A (0.54) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL14646946 0.83 KMT2A (0.46) AAK1CAMK2DNR4A2MTNR1AMTNR1B
SCHEMBL14646077 0.83 NR4A2 (0.46) NR4A2
SCHEMBL14646945 0.83 CAMK2D (0.43) AAK1CAMK2DNR4A2TRPV1

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