SCHEMBL19086276

SCHEMBL19086276

NCCCCn1cc(-c2ccc(N)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
HDAC8 Q9BY41 17/20 0.46
HDAC6 Q9UBN7 17/20 0.46
HDAC3 O15379 16/20 0.46
HDAC4 P56524 16/20 0.46
HDAC1 Q13547 16/20 0.46
HDAC7 Q8WUI4 16/20 0.46
HDAC2 Q92769 16/20 0.46
HDAC10 Q969S8 16/20 0.46
HDAC11 Q96DB2 16/20 0.46
HDAC9 Q9UKV0 16/20 0.46
HDAC5 Q9UQL6 16/20 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
SCHEMBL17037196 0.86 ALOX5 (0.53) ALOX5DRD2DRD4DRD3HDAC8
SCHEMBL5287307 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL15590034 0.84 ALOX5 (0.57) ALOX5DRD2DRD4DRD3
SCHEMBL29966213 0.84 L3MBTL1 (0.47) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16068165 0.82 TEK (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL29966218 0.81 L3MBTL1 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18373097 0.81 HDAC8 (0.59) ALOX5HDAC8HDAC6HDAC3HDAC4
SCHEMBL19723347 0.81 ALOX5 (0.60) ALOX5DRD2DRD4DRD3HDAC8
SCHEMBL20988741 0.81 ALOX5 (0.51) ALOX5DRD2DRD4DRD3
SCHEMBL17482382 0.80 MAPK14 (0.50) ALOX5DRD2DRD4DRD3

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
WO-2017118690-A1 A NOVEL SYNTHETIC PATHWAY TOWARDS SOLITHROMYCIN AND PURIFICATION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2017-07-13 WO disclosed
EP-3190122-A1 A NOVEL SYNTHETIC PATHWAY TOWARDS SOLITHROMYCIN AND PURIFICATION THEREOF LEK Pharmaceuticals d.d. (SI) 2017-07-12 EP disclosed