SCHEMBL6795604

SCHEMBL6795604

c1ccc2c([C]3CC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALOX15 P16050 4/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
DRD2 P14416 1/20 0.54
HTR2C P28335 1/20 0.54
IMPDH2 P12268 2/20 0.53
SIRT2 Q8IXJ6 2/20 0.53
NR4A2 P43354 1/20 0.53
PRKD3 O94806 1/20 0.53
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
ABL1 P00519 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
CDK1 P06493 1/20 0.53
PIM1 P11309 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53

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
SCHEMBL28511787 0.92 KDM4E (0.51) KDM4EALOX15HSD17B10MAPTALDH1A1
SCHEMBL6085735 0.90 HTT (0.52) KDM4EALOX15HSD17B10MAPTALDH1A1
SCHEMBL1202543 0.84 IMPDH2 (0.63) KDM4EALOX15HSD17B10MAPTALDH1A1
SCHEMBL28377762 0.77 NR4A2 (0.81) HSD17B10MAPTALDH1A1IMPDH2SIRT2
3-Phenylindole SCHEMBL29609072 0.76 IMPDH2 (0.71) HSD17B10MAPTALDH1A1IMPDH2SIRT2
3-Phenylindole SCHEMBL84056 0.76 IMPDH2 (0.71) HSD17B10MAPTALDH1A1IMPDH2SIRT2
SCHEMBL28416622 0.76 NR4A2 (0.78) HSD17B10MAPTALDH1A1IMPDH2SIRT2
SCHEMBL14188727 0.76 HSD17B10 (0.55) KDM4EALOX15HSD17B10MAPTALDH1A1
SCHEMBL29942046 0.76 HSD17B10 (0.55) KDM4EALOX15HSD17B10MAPTALDH1A1
SCHEMBL28129193 0.75 HSD17B10 (0.51) KDM4EALOX15HSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US claimed
EP-1370519-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-12-17 EP claimed
WO-2002068380-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2002-09-06 WO claimed
US-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1370519-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002068380-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2002-09-06 WO disclosed