SCHEMBL21154489

SCHEMBL21154489

CCCN(CCC)c1nc2cc(Br)ccn2n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
CRHR1 P34998 6/20 0.39
SLC6A2 P23975 1/20 0.35
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL9104427 0.82 AHR (0.49) AHR
SCHEMBL9107317 0.80 AHR (0.53) AHRSLC6A2
SCHEMBL9108306 0.78 AHR (0.46) AHRMAPT
SCHEMBL20619998 0.73 AHR (0.53) AHR
SCHEMBL20472465 0.72 AHR (0.46) AHR
SCHEMBL9105474 0.72 AHR (0.46) AHR
SCHEMBL616699 0.71 AHR (0.57) AHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL31096177 0.71 AHR (0.57) AHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL9104806 0.70 AHR (0.61) AHRJAK2JAK3
SCHEMBL20472412 0.68 AHR (0.41) AHRMAPT

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-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed