SCHEMBL8287258

SCHEMBL8287258

O=C(c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CSF1R P07333 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL8287991 0.85 GAA (0.39) HPGDSMN1; SMN2CSF1RALDH1A1GAA
SCHEMBL8360822 0.83 CSF1R (0.37) GRM5HPGDSMN1; SMN2CSF1RALDH1A1
SCHEMBL8286184 0.83 ALDH1A1 (0.39) GRM5ALDH1A1KMT2AGAAMAPT
SCHEMBL8360854 0.82 MAPK14 (0.38) HPGDSMN1; SMN2ALDH1A1CYP2C9KMT2A
SCHEMBL8287257 0.82 RAB9A (0.40) HPGDSMN1; SMN2ALDH1A1CYP2C9KMT2A
SCHEMBL8286557 0.81 NPC1 (0.40) GRM5ALDH1A1KMT2AMEN1GAA
SCHEMBL8287252 0.81 CXCR2 (0.37) HPGDCSF1RALDH1A1HSD17B10CYP2C9
SCHEMBL8362709 0.81 PDE11A (0.39) HPGDSMN1; SMN2CSF1RALDH1A1CYP2C9
SCHEMBL8287253 0.80 RIPK1 (0.43) HTTMAPTPOLB
SCHEMBL8361774 0.80 RIPK1 (0.42) ALDH1A1KDM4E

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