SCHEMBL7836064

SCHEMBL7836064

Cc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)OCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 2/20 0.35
CHRM3 P20309 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GRIN2B Q13224 1/20 0.34
DPP4 P27487 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 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
SCHEMBL7832805 0.86 TSHR (0.62) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7837276 0.83 TSHR (0.50) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7832340 0.82 TSHR (0.48) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL6317736 0.80 NPSR1 (0.49) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7835197 0.79 TSHR (0.46) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7837012 0.79 TSHR (0.47) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7834024 0.78 NPC1 (0.51) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7835107 0.78 TSHR (0.46) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7832141 0.78 NPSR1 (0.48) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL7837273 0.78 TSHR (0.45) TSHRKMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1344270-A Functionalized heterocycles as chemokine receptor modulators THOUSAND YEARS MEDICAMENTS INC (US) 2002-04-10 CN disclosed
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