SCHEMBL2013388

SCHEMBL2013388

CCCNn1c(C)c(C(=O)NCCCc2ccc(Cl)cc2)c(C)c(Br)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
LIPG Q9Y5X9 4/20 0.37
LIPC P11150 1/20 0.36

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
SCHEMBL2010877 0.90 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1MAPTTDP1
SCHEMBL10150652 0.89 THRB (0.50) THRBRAB9AMAPTTDP1ALDH1A1
SCHEMBL2015522 0.89 BCL2 (0.42) THRBNPC1RAB9AL3MBTL1TDP1
SCHEMBL1979905 0.80 P2RX7 (0.43)
SCHEMBL10150960 0.79 PDE10A (0.42) THRBNPC1MAPTLMNA
SCHEMBL1975060 0.78 PPARG (0.40) ALDH1A1LMNA
SCHEMBL10150590 0.73 PDE10A (0.42) THRBMAPTLMNA
SCHEMBL1973915 0.69 PPARG (0.37) RAB9A
SCHEMBL10150961 0.67 PPARG (0.40) LMNA
SCHEMBL1973525 0.65 FAAH (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed