SCHEMBL2772628

SCHEMBL2772628

Cc1nc2ccc(NC(=O)c3oc(C)c4ccccc34)cc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
HTR2C P28335 3/20 0.58
HTR2B P41595 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TP53 P04637 4/20 0.49
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
ADORA2A P29274 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL2772895 0.86 POLB (0.55) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL2772621 0.84 TP53 (0.63) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL30128312 0.82 ALDH1A1 (0.71) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL2772888 0.81 POLB (0.54) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL2772911 0.80 NPC1 (0.65) SMN1; SMN2ALDH1A1MAPTKMT2AHCRTR1
SCHEMBL30300541 0.80 POLB (0.62) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL3772178 0.79 POLB (0.76) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL2246120 0.78 POLB (0.75) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL7076037 0.78 RAB9A (0.61) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL31741395 0.77 POLB (0.58) POLBHTR2CHTR2BSMN1; SMN2ALDH1A1

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-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP claimed
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP disclosed