SCHEMBL8577106

SCHEMBL8577106

CCC(CC(=O)c1cc2c3c(n(Cc4ccccc4)c2cc1CCc1ccccc1)CCCC3NC=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.37
FABP4 P15090 1/20 0.34
CCR1 P32246 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL6993129 0.86 HTR6 (0.38) HTR6FABP4HDAC6HDAC1HDAC11
SCHEMBL6978338 0.85 HTR6 (0.36) HTR6FABP4HDAC6HDAC8
SCHEMBL27862253 0.80 FABP4 (0.38) HTR6FABP4HDAC6HDAC1HDAC11
SCHEMBL6993132 0.79 FABP4 (0.35) HTR6FABP4HDAC6HDAC1HDAC11
SCHEMBL8577109 0.77 HTR6 (0.36) HTR6
SCHEMBL818662 0.77 PLA2G2A (0.42) HTR6FABP4
SCHEMBL6978340 0.77 PLA2G2A (0.41) HTR6
SCHEMBL8575155 0.73 HTR6 (0.33) HTR6FABP4
SCHEMBL8575157 0.71 HTR6 (0.34) HTR6FABP4
SCHEMBL6983124 0.70 PLA2G2A (0.40) HTR6FABP4

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-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed