SCHEMBL14878375

SCHEMBL14878375

Cc1ccc2c(c1)OCc1cncn1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
MAP3K5 Q99683 2/20 0.37
GRM5 P41594 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
TERT O14746 1/20 0.35
CYP11B1 P15538 1/20 0.34

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
SCHEMBL8144243 0.83 GABRA5 (0.35) GABRA5GABRG2GABRB3MAP3K5GABRA1
SCHEMBL14980087 0.82 CYP19A1 (0.38) GABRA5GABRG2GABRB3CYP11B1CYP11B2
SCHEMBL12691838 0.81 GABRA5 (0.41) GABRA5GABRG2GABRB3MAP3K5GABRA1
SCHEMBL3959344 0.79 GABRG2 (0.44) GABRA5GABRG2GABRB3MAP3K5GRM5
SCHEMBL8116517 0.77 TERT (0.42) TERTHTTCYP3A4MEN1KMT2A
SCHEMBL14878379 0.77 MAP3K5 (0.31) GABRA5GABRG2GABRB3MAP3K5
SCHEMBL16601607 0.74 GABRG2 (0.35) GABRA5GABRG2GABRB3GRM5GABRA1
SCHEMBL14878378 0.74 GABRG2 (0.51) GABRA5GABRG2GABRB3GRM5GABRA1
SCHEMBL14878372 0.71 MAPT (0.39) GABRA5GABRG2GABRB3GRM5GABRA1
SCHEMBL87094 0.71 F10 (0.39) GABRA5GABRG2GABRB3GRM5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed