SCHEMBL14499472

SCHEMBL14499472

COC(=O)c1ccc(-c2nnc(CCCCCc3ccccc3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.57
CES1 P23141 5/20 0.55
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
NPC1 O15118 2/20 0.47

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
SCHEMBL14499476 1.00 FAAH (0.57) FAAHCES1HDAC6HDAC3HDAC4
SCHEMBL14499480 1.00 FAAH (0.57) FAAHCES1HDAC6HDAC3HDAC4
SCHEMBL14499469 0.99 FAAH (0.55) FAAHCES1HDAC6HDAC3HDAC4
SCHEMBL5639617 0.96 FAAH (0.53) FAAHCES1HDAC6MAPTL3MBTL1
SCHEMBL5640994 0.92 CA1 (0.57) FAAHHDAC6MAPTL3MBTL1CA1
SCHEMBL5638249 0.87 MAPT (0.48) FAAHHDAC6MAPTL3MBTL1CA1
SCHEMBL7338333 0.87 MAPT (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5636130 0.87 MAPT (0.51) FAAHCES1HDAC6MAPTL3MBTL1
SCHEMBL14499456 0.87 MAPT (0.48) FAAHHDAC6MAPTL3MBTL1NPC1
SCHEMBL14499477 0.87 NPC1 (0.60) FAAHCES1HDAC6HDAC3HDAC4

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
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed