SCHEMBL6988149

SCHEMBL6988149

CC(C)(CCCc1ccccc1)C(CCCc1ccccc1)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAOB P27338 2/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
TRPA1 O75762 1/20 0.41
MMP8 P22894 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL6685035 0.76 L3MBTL1 (0.48) SLC6A2MAOBL3MBTL1POLBMEN1
SCHEMBL8910211 0.76 SLC6A2 (0.45) SLC6A2TAAR1MAOBLMNACYP2D6
SCHEMBL11047843 0.74 L3MBTL1 (0.47) SLC6A2MAOBL3MBTL1POLBMEN1
SCHEMBL3804525 0.72 POLB (0.49) SLC6A2L3MBTL1POLBMEN1KMT2A
SCHEMBL28882516 0.72 FAAH (0.46) SLC6A2MAOBL3MBTL1POLBMEN1
SCHEMBL28737092 0.72 L3MBTL1 (0.45) SLC6A2MAOBL3MBTL1POLBMEN1
SCHEMBL3797223 0.72 TAAR1 (0.56) SLC6A2TAAR1MAOBL3MBTL1MEN1
SCHEMBL8851534 0.72 L3MBTL1 (0.45) SLC6A2MAOBL3MBTL1POLBMEN1
SCHEMBL11855325 0.71 POLB (0.41) L3MBTL1POLBMEN1KMT2ASIGMAR1
Bromide SCHEMBL11133528 0.71 SLC6A2 (0.54) SLC6A2TAAR1MAOBL3MBTL1POLB

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 claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed