SCHEMBL8286111

SCHEMBL8286111

CCOC(=O)N1CCN(c2cc(C)nc3c2c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.45
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RY12 Q9H244 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 2/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CSF1R P07333 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL8286112 0.89 NCF1 (0.50) PDE11AMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL8287531 0.89 PDE11A (0.44) PDE11AMAPTGAAMEN1KMT2A
SCHEMBL8286107 0.87 PDE11A (0.54) PDE11AMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL8286110 0.85 PDE11A (0.50) PDE11AGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8287910 0.84 MAPT (0.43) PDE11AMAPTP2RY12ALDH1A1PTPN11
SCHEMBL8287827 0.84 PDE11A (0.51) PDE11AMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL8287424 0.83 PDE11A (0.48) PDE11AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL8287829 0.82 PDE11A (0.64) PDE11AMAPTGAAMEN1KMT2A
SCHEMBL8287828 0.82 PDE11A (0.49) PDE11AGAAALDH1A1KMT2AHPGD
SCHEMBL8286097 0.81 PDE11A (0.45) PDE11AP2RY12LMNAPOLB

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