SCHEMBL5049018

SCHEMBL5049018

O=C(NCCc1ccc(-c2ccccc2)cc1)c1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.65
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HIF1A Q16665 2/20 0.56
SNCA P37840 1/20 0.54
HDAC1 Q13547 4/20 0.54
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CYP2D6 P10635 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL5049017 0.87 MCHR1 (0.58) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL8163393 0.85 MCHR1 (0.77) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL1854758 0.83 MCHR1 (0.52) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL8162947 0.81 HIF1A (0.72) MCHR1MEN1KMT2AHIF1ANPC1
SCHEMBL10133038 0.80 MEN1 (0.72) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL13073425 0.80 HDAC2 (0.76) MEN1KMT2ARXFP1HIF1ANPC1
SCHEMBL5039677 0.79 NPC1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8163396 0.77 HSP90AA1 (0.68) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL6223646 0.77 MCHR1 (0.77) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL1926318 0.76 EPHX2 (0.77) MEN1KMT2AHDAC1EPHX2NR1H4

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed