SCHEMBL6929281

SCHEMBL6929281

Oc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.40
HTR4 Q13639 1/20 0.39
MERTK Q12866 1/20 0.39
PDE6D O43924 1/20 0.38
TLR7 Q9NYK1 3/20 0.38
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ACP1 P24666 2/20 0.36
PTGER4 P35408 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC6A4 P31645 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL6838078 0.88 MERTK (0.43) NPY1RHTR4MERTKPDE6DTLR7
SCHEMBL7489996 0.88 NPY1R (0.40) NPY1RHTR4MERTKPDE6DTLR7
SCHEMBL6928192 0.88 HTR4 (0.42) NPY1RHTR4MERTKPDE6DTLR7
SCHEMBL6838636 0.88 PTGER4 (0.41) NPY1RHTR4MERTKPDE6DTLR7
SCHEMBL6925914 0.87 NPY1R (0.44) NPY1RHTR4MERTKPDE6DAVPR2
SCHEMBL6838557 0.86 MAOB (0.39) NPY1RHTR4MERTKPDE6DTLR7
Hydrochloric Acid SCHEMBL6923145 0.86 NPY1R (0.43) NPY1RHTR4MERTKPDE6DAVPR2
SCHEMBL6833790 0.86 ACP1 (0.42) NPY1RHTR4MERTKPDE6DTLR7
SCHEMBL6833713 0.85 NPY1R (0.39) NPY1RHTR4MERTKPDE6DTLR7
SCHEMBL6833690 0.85 HTR4 (0.39) NPY1RHTR4MERTKPDE6DTLR7

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
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 EP disclosed