SCHEMBL16864483

SCHEMBL16864483

O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.57
ALDH1A1 P00352 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
ADRB1 P08588 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
HTT P42858 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
SCHEMBL3762010 0.93 LRRK2 (0.60) LRRK2ALDH1A1HTT
SCHEMBL3775929 0.93 LRRK2 (0.60) LRRK2ALDH1A1HTT
SCHEMBL3775098 0.91 LRRK2 (0.57) LRRK2ALDH1A1HTT
SCHEMBL3773105 0.90 LRRK2 (0.56) LRRK2ALDH1A1
SCHEMBL10224703 0.90 LRRK2 (0.71) LRRK2ALDH1A1
SCHEMBL3768652 0.90 LRRK2 (0.56) LRRK2ALDH1A1
SCHEMBL462960 0.88 LRRK2 (0.55) LRRK2ALDH1A1HTT
SCHEMBL3778615 0.87 LRRK2 (0.54) LRRK2ALDH1A1
SCHEMBL3775692 0.87 LRRK2 (0.54) LRRK2ALDH1A1
SCHEMBL3766638 0.87 LRRK2 (0.53) LRRK2

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-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed