SCHEMBL8286535

SCHEMBL8286535

Cc1cc2c(c(NCC(=O)Nc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.45
TSHR P16473 3/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
GAA P10253 4/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
SLC2A1 P11166 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAT2A P31153 1/20 0.37
GFER P55789 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 2/20 0.36
PDE11A Q9HCR9 1/20 0.36
ECE1 P42892 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 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
SCHEMBL8358804 0.91 MAT2A (0.41) OPRK1TSHRKCNJ6KCNJ5KCNJ3
SCHEMBL5871913 0.87 ALDH1A1 (0.42) OPRK1TSHRADORA1GAAMAPK1
SCHEMBL8285359 0.86 KDM4E (0.47) TSHRKCNJ6KCNJ5KCNJ3ADORA3
SCHEMBL8287944 0.84 GAA (0.43) TSHRGAAMAPK1HPGDSMN1; SMN2
SCHEMBL8285272 0.84 PDE11A (0.37) OPRK1TSHRGAAMAPK1HPGD
SCHEMBL8285358 0.83 GAA (0.43) ADORA3ADORA1GAAHPGDSMN1; SMN2
SCHEMBL8286558 0.83 PDE11A (0.46) TSHRGAAHPGDSMN1; SMN2MAPT
SCHEMBL8287405 0.83 OPRK1 (0.53) OPRK1TSHRKCNJ6KCNJ5KCNJ3
SCHEMBL8287533 0.83 SLC2A1 (0.44) OPRK1GAAMAPK1HPGDSLC2A1
SCHEMBL8286548 0.82 SMN1; SMN2 (0.50) TSHRGAAMAPK1SMN1; SMN2USP2

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed