SCHEMBL7823407

SCHEMBL7823407

Cc1ccc(C(F)OC(=O)c2c(C)[nH]c3ccc(O)c(CN(C)C)c23)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ADRB2 P07550 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
GRIN2B Q13224 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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 0.80 TSHR (0.46) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7837273 0.79 TSHR (0.45) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7832340 0.77 TSHR (0.48) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7834762 0.76 MEN1 (0.44) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7832805 0.76 TSHR (0.62) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7834024 0.73 NPC1 (0.51) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7837276 0.73 TSHR (0.50) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7838453 0.73 ADRB2 (0.49) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL7832660 0.72 ADRB2 (0.46) TSHRADRB2KMT2AMEN1ALDH1A1
SCHEMBL6317736 0.70 NPSR1 (0.49) TSHRKMT2AMEN1ALDH1A1LMNA

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