SCHEMBL9302679

SCHEMBL9302679

Cc1nn(C)c2nc(C(C)C)[c]c(-c3ccc(F)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
PDE5A O76074 1/20 0.34
NR3C1 P04150 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL9301131 0.78 S1PR2 (0.36) S1PR2NR3C1MAPTKDM4ESMN1; SMN2
SCHEMBL7799751 0.68 GCGR (0.60) GCGR
SCHEMBL10517469 0.68 GCGR (0.45) S1PR2GCGR
SCHEMBL8021235 0.68 GCGR (0.42) S1PR2PDE5AMAPTKDM4ESMN1; SMN2
SCHEMBL7791791 0.66 GCGR (0.40) S1PR2MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9302519 0.66 ADORA2A (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL9302391 0.66 APP (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL10518455 0.65 GCGR (0.44) GCGR
SCHEMBL7557410 0.64 P2RX3 (0.33) MAPK14GCGR
SCHEMBL7592397 0.64 ADORA2A (0.38) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US claimed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP claimed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP claimed
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US disclosed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP disclosed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US disclosed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP disclosed