SCHEMBL5248494

SCHEMBL5248494

Nc1nccc(Cc2cc(Br)ccc2OCCN2CCCC2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HRH1 P35367 3/20 0.42
▸ DRD1 P21728 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD5 P21918 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ LTA4H P09960 3/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL4484633 0.78 MEN1 (0.57) MEN1KMT2AHRH1DRD1DRD4
SCHEMBL8265215 0.77 BACE1 (0.45) MEN1KMT2AHRH1DRD1DRD4
SCHEMBL4481567 0.76 MEN1 (0.57) MEN1KMT2AHRH1DRD1DRD4
SCHEMBL4478052 0.76 MEN1 (0.61) MEN1KMT2AHRH1DRD1DRD4
SCHEMBL5218860 0.75 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4ECCR5
SCHEMBL5214956 0.74 CCR5 (0.52) LTA4HALDH1A1CCR5SMN1; SMN2
SCHEMBL20511573 0.73 MEN1 (0.56) MEN1KMT2ALTA4HPTGS2ALDH1A1
SCHEMBL2322967 0.72 HTR1B (0.67) MEN1KMT2ALTA4HPTGS2ALDH1A1
SCHEMBL2322996 0.71 HRH3 (0.47) TDP1HTR2AHTR2CHTR2B
SCHEMBL2329109 0.70 ALDH1A1 (0.67) MEN1KMT2ALTA4HPTGS2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
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