SCHEMBL30286803

SCHEMBL30286803

Cc1ccccc1C1c2ccccc2CCN1CC(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.46
PRCP P42785 1/20 0.41
HDAC1 Q13547 6/20 0.40
HDAC3 O15379 5/20 0.40
HDAC2 Q92769 5/20 0.40
NCOR2 Q9Y618 5/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HHAT Q5VTY9 2/20 0.38
PARP1 P09874 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL23948095 1.00 HDAC8 (0.46) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL29763681 0.84 HDAC8 (0.45) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL23926162 0.84 HDAC8 (0.45) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL24419866 0.83 HDAC8 (0.57) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL30286814 0.83 HDAC8 (0.57) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL29763657 0.83 TERT (0.47) HDAC8HDAC1HDAC3HDAC2NCOR2
SCHEMBL24419938 0.81 HHAT (0.40) HHAT
SCHEMBL29763648 0.77 HDAC8 (0.48) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL23926172 0.77 HDAC8 (0.48) HDAC8PRCPHDAC1HDAC3HDAC2
SCHEMBL14417385 0.75 PRCP (0.70) HDAC8PRCPHDAC1HDAC3HDAC2

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
EP-4135698-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS The Trustees of Indiana University (US) 2023-02-22 EP disclosed