SCHEMBL6985463

SCHEMBL6985463

Clc1ccc([C](CCc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.49
GRIN2B Q13224 1/20 0.47
PDPK1 O15530 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLAAT3 P53816 3/20 0.45
PLAAT5 Q96KN8 3/20 0.45
PLAAT2 Q9NWW9 3/20 0.45
PLAAT4 Q9UL19 3/20 0.45
TDP1 Q9NUW8 1/20 0.42
KEAP1 Q14145 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL7767316 0.87 L3MBTL1 (0.66) L3MBTL1MAPTMEN1KMT2AGRIN2B
SCHEMBL6983635 0.82 ALDH1A1 (0.53) L3MBTL1ALDH1A1LMNASMN1; SMN2PLAAT3
SCHEMBL6983189 0.79 GRIN2B (0.50) MEN1KMT2AGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6986510 0.78 RAB9A (0.67) L3MBTL1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL3078714 0.76 L3MBTL1 (0.68) L3MBTL1MAPTMEN1KMT2AHTT
SCHEMBL11223785 0.75 L3MBTL1 (0.70) L3MBTL1MAPTMEN1KMT2AHTT
SCHEMBL199869 0.72 L3MBTL1 (1.00) L3MBTL1MAPTHTTALDH1A1LMNA
SCHEMBL4066365 0.72 MAPT (0.61) L3MBTL1MAPTMEN1KMT2AGRIN2B
SCHEMBL28552018 0.72 L3MBTL1 (0.61) L3MBTL1MAPTMEN1KMT2AGRIN2B
SCHEMBL5680205 0.71 L3MBTL1 (0.57) L3MBTL1MAPTMEN1KMT2AHTT

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-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed