SCHEMBL6883091

SCHEMBL6883091

O=C(O)c1ccc2c(c1)nnn2C1Cc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.73
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 3/20 0.49
HPGD P15428 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
GAA P10253 1/20 0.48
GALK1 P51570 1/20 0.46

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
SCHEMBL6043957 0.85 HCAR3 (1.00) HCAR3MAPTTP53RXFP1HPGD
SCHEMBL6044131 0.82 HCAR3 (1.00) HCAR3MAPTTP53RXFP1GAA
SCHEMBL6044013 0.82 HCAR3 (1.00) HCAR3MAPTTP53RXFP1HPGD
SCHEMBL6044076 0.81 HCAR3 (1.00) HCAR3MAPTTP53RXFP1GAA
SCHEMBL26576420 0.81 HCAR3 (0.77) HCAR3TP53RXFP1HPGDHCAR2
SCHEMBL29490305 0.73 HCAR3 (0.78) HCAR3TP53RXFP1HPGDHCAR2
SCHEMBL22862503 0.73 HCAR3 (0.78) HCAR3TP53RXFP1HPGDHCAR2
SCHEMBL2490016 0.72 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL6688047 0.71 HCAR3 (0.77) HCAR3MAPTTP53RXFP1
SCHEMBL5921944 0.70 HCAR3 (0.68) HCAR3HPGDHCAR2

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
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed