SCHEMBL6132676

SCHEMBL6132676

O=C(On1nnc2ccccc21)c1ccc(-c2ccc(N3CCN(C4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
SIRT2 Q8IXJ6 3/20 0.46
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 3/20 0.40
FAAH O00519 2/20 0.40
MGLL Q99685 2/20 0.40

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
SCHEMBL6370242 1.00 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6135212 0.97 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132618 0.94 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132622 0.94 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134110 0.93 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134003 0.92 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539758 0.91 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539354 0.91 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539349 0.91 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134447 0.91 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed