SCHEMBL8060412

SCHEMBL8060412

Clc1ccc(N[C@H]2CCOc3ccccc32)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
CCR6 P51684 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
MAPK1 P28482 4/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL8054302 1.00 LRRK2 (0.41) LRRK2ALDH1A1HTR1AHTR1DCCR6
SCHEMBL8050815 0.86 P2RX7 (0.46) ALDH1A1HTR1AHTR1DGAAMAPT
SCHEMBL12162969 0.72 ITGB2 (0.43) LRRK2CCR6TRPV1MAPK1LMNA
SCHEMBL6431777 0.71 ITGB2 (0.46) LRRK2TRPV1MAPK1LMNAHTR2A
SCHEMBL5017486 0.71 ITGB2 (0.46) LRRK2TRPV1MAPK1LMNAHTR2A
SCHEMBL4740571 0.70 FADS1 (0.62) LRRK2ALDH1A1CCR6MAPTTRPV1
SCHEMBL599753 0.70 LRRK2 (0.46) LRRK2CCR6TRPV1MAPK1HTR2A
SCHEMBL22997177 0.69 PDPK1 (0.52) HTR2A
SCHEMBL7500388 0.69 PDPK1 (0.52) HTR2A
SCHEMBL2790683 0.69 ITGB2 (0.43) LRRK2TRPV1MAPK1LMNAHTR2A

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-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed