SCHEMBL2665700

SCHEMBL2665700

O=C(NCC(F)(F)C(=O)O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
DEGS1 O15121 1/20 0.46
GCGR P47871 3/20 0.45
GIPR P48546 2/20 0.44
HDAC1 Q13547 1/20 0.43
PPARD Q03181 2/20 0.43
HAO1 Q9UJM8 1/20 0.42
EPHX2 P34913 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KDR P35968 1/20 0.41
CXCR4 P61073 1/20 0.41
USP1 O94782 1/20 0.40

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
SCHEMBL2663337 0.81 GCGR (0.55) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL2666401 0.81 GCGR (0.55) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL2647028 0.80 HAO1 (0.52) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL2665697 0.79 GCGR (0.54) HDAC6GCGRGIPRHDAC1OPRM1
SCHEMBL9071343 0.78 GCGR (0.42) HDAC6HDAC8GCGRGIPRHDAC1
SCHEMBL2665693 0.77 GCGR (0.64) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL9071337 0.77 GCGR (0.64) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL28747007 0.77 OPRM1 (0.50) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL2651250 0.77 GCGR (0.47) HDAC6HDAC8HDAC3HDAC11DEGS1
SCHEMBL9071363 0.75 GCGR (0.60) GCGRGIPR

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-2002040446-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed