SCHEMBL8880656

SCHEMBL8880656

CCOC(=O)c1nccn1C1Cc2cc(C)ccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 2/20 0.37
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL8880066 0.90 HRH1 (0.43) METAP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8880563 0.90 GABRG2 (0.38) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL8881385 0.90 GABRG2 (0.41) METAP1ALDH1A1KDM4EGAAHPGD
SCHEMBL8881176 0.89 CYP19A1 (0.43) METAP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8091069 0.87 TBXAS1 (0.36) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL8317441 0.87 GABRA1 (0.41) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL8879965 0.87 MAPT (0.46) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL8314308 0.86 GABRG2 (0.39) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL8558748 0.85 METAP1 (0.39) METAP1ALDH1A1KDM4EGAAMEN1
SCHEMBL8880567 0.85 PDE3B (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A

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
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed