SCHEMBL5500252

SCHEMBL5500252

N[C@@H](Cc1ccccc1)C(=O)NCCCCNc1ncccn1.Nc1nnn[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL5494957 0.87 HPGD (0.51) HPGDHDAC8
SCHEMBL5492378 0.81 TPH1 (0.45) HPGD
SCHEMBL18375234 0.75 ALPI (0.59) HDAC8
SCHEMBL11254327 0.75 ALPI (0.59) HDAC8
SCHEMBL14598271 0.74 CHRNB2 (0.45)
Hydrochloric Acid SCHEMBL2927527 0.74 ALPI (0.58) HDAC8
SCHEMBL16559587 0.74 ALPI (0.58)
SCHEMBL9113781 0.73 ALPI (0.59) HDAC8
SCHEMBL2309960 0.71 GPR142 (0.48) HDAC8
SCHEMBL9386337 0.71 GPR142 (0.48) HDAC8

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-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed