SCHEMBL19523972

SCHEMBL19523972

CCOC(=O)c1ncn2c1COc1cc(C)c(OC(C)C)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.44
GABRB3 P28472 18/20 0.44
GABRA5 P31644 18/20 0.44
GABRA1 P14867 6/20 0.44
GABRA3 P34903 6/20 0.44
GABRA2 P47869 6/20 0.44
GABRA6 Q16445 5/20 0.44
GABRB2 P47870 3/20 0.44
GABRA4 P48169 2/20 0.43
MEN1 O00255 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRE P78334 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL16339502 0.90 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7634522 0.77 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2233633 0.76 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL16340012 0.74 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL24632609 0.71 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL16333953 0.71 MAPT (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8125584 0.71 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL14321045 0.69 HTR1A (0.55) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL430171 0.69 HTR1A (0.51) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL430527 0.68 HTR1A (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3

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-3013823-B1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed