SCHEMBL7834762

SCHEMBL7834762

Cc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)OC(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.42
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRB2 P07550 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL7835197 0.88 TSHR (0.46) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7837273 0.86 TSHR (0.45) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL6317736 0.81 NPSR1 (0.49) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7832340 0.81 TSHR (0.48) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7832805 0.80 TSHR (0.62) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL7838453 0.80 ADRB2 (0.49) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7832141 0.80 NPSR1 (0.48) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7837276 0.77 TSHR (0.50) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7832660 0.77 ADRB2 (0.46) MEN1KMT2ALMNATSHRGRIN2B
SCHEMBL7823407 0.76 TSHR (0.38) MEN1KMT2ALMNATSHRGRIN2B

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
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed