SCHEMBL11262467

SCHEMBL11262467

O=C(NCCNCC(O)COc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.48
HDAC4 P56524 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
ADRB2 P07550 10/20 0.48
ADRB1 P08588 10/20 0.48
ADRB3 P13945 2/20 0.48
S1PR1 P21453 1/20 0.46
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11281283 0.86 LMNA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11258032 0.84 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11255256 0.82 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11253350 0.80 ADRB2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11257434 0.77 ATP4A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11252882 0.77 ATP4A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11248636 0.76 ADRB2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11244652 0.74 CYP2D6 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11257221 0.72
SCHEMBL27202465 0.72 NPC1 (0.71) S1PR1NPC1POLBRAB9ASMN1; SMN2

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
US-4338330-A HYPOTENSIVE AGENTS CONTINENTAL PHARMA (BE) 1982-07-06 US disclosed