SCHEMBL3820745

SCHEMBL3820745

CCOC(=O)c1c(C(C)C)nn2c(C)ccc2c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GCGR P47871 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
GRM6 O15303 1/20 0.41
PRKCZ Q05513 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SLC10A2 Q12908 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
TP53 P04637 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
SCHEMBL3822819 0.89 GCGR (0.43) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL9753340 0.89 GCGR (0.43) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL5089841 0.89 GCGR (0.43) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL5094505 0.89 GCGR (0.47) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL5095559 0.89 GCGR (0.43) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL5095533 0.88 GCGR (0.42) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL5093104 0.88 MAPT (0.44) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL3819543 0.88 GCGR (0.42) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL5101498 0.88 ALDH1A1 (0.44) MAPTGCGRALDH1A1KDM4EHPGD
SCHEMBL3822321 0.87 GCGR (0.41) MAPTGCGRALDH1A1KDM4EHPGD

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
EP-1581535-B3 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-09-02 EP claimed