SCHEMBL7958723

SCHEMBL7958723

CCNC(=O)c1ccc(CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
PARP1 P09874 2/20 0.54
HDAC6 Q9UBN7 2/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
HDAC1 Q13547 3/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL7947565 0.88 PARP1 (0.54) DRD2PARP1HDAC6HIF1AEPAS1
SCHEMBL5633970 0.82 CHKA (0.56) HDAC6HDAC1KMT2AHSD17B10
SCHEMBL5632521 0.82 POLB (0.54) HDAC6HIF1AEPAS1
SCHEMBL16809276 0.82 HDAC6 (0.58) HDAC6HDAC1KMT2AHDAC4HDAC8
SCHEMBL6135186 0.81 POLB (0.57) DRD2HDAC6HIF1AEPAS1HDAC1
SCHEMBL8385135 0.80 HDAC6 (0.74) HDAC6HDAC1KMT2AHDAC3HDAC4
SCHEMBL5987374 0.80 HTR2A (0.59) DRD2HDAC6HDAC1KMT2AHDAC3
SCHEMBL8251460 0.79 POLB (0.56) DRD2
SCHEMBL22106236 0.78 HDAC1 (0.56) HDAC6HDAC1KMT2AHDAC4HDAC8
SCHEMBL18811751 0.78 HDAC1 (0.56) HDAC6HDAC1KMT2AHDAC4HDAC8

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed