SCHEMBL4042963

SCHEMBL4042963

NC(Cn1ccc2cc(Cl)ccc21)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.65
HTR2A P28223 5/20 0.65
KMO O15229 2/20 0.53
PRMT5 O14744 1/20 0.46
OXER1 Q8TDS5 1/20 0.46
ACLY P53396 2/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK5 Q16478 1/20 0.42

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
SCHEMBL4042962 1.00 HTR2C (0.65) HTR2CHTR2AKMOPRMT5OXER1
SCHEMBL3951049 0.84 HTR2C (0.63) HTR2CHTR2APRMT5ACLYHDAC3
SCHEMBL3951044 0.84 HTR2C (0.63) HTR2CHTR2APRMT5ACLYHDAC3
SCHEMBL11032483 0.83 HTR2C (0.65) HTR2CHTR2APRMT5HDAC3HDAC1
SCHEMBL11033586 0.81 HTR2C (0.68) HTR2CHTR2APRMT5HDAC8HDAC6
Fumaric Acid SCHEMBL7091387 0.80 HTR2C (0.78) HTR2CHTR2APRMT5OXER1ACLY
Fumaric Acid SCHEMBL7091385 0.80 HTR2C (0.78) HTR2CHTR2APRMT5OXER1ACLY
SCHEMBL8959591 0.79 HTR2C (1.00) HTR2CHTR2APRMT5
SCHEMBL7092716 0.79 HTR2C (1.00) HTR2CHTR2APRMT5
SCHEMBL2700471 0.79 KMT2A (0.58) HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 EP disclosed
WO-2009024613-A1 TETRACYCLIC INDOLOPYRIDINES AS EG5 INHIBITORS 4SC AG (DE) 2009-02-26 WO disclosed
US-4448785-A N-Unsaturated fatty acid amides of tryptophan ester homologues and anti-cholesteric use thereof SANDOZ, INC. (US) 1984-05-15 US disclosed