SCHEMBL5049017

SCHEMBL5049017

O=C(NCCc1ccc(-c2ccccc2)cc1)c1ccc(C[N]Cc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HIF1A Q16665 3/20 0.57
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CYP2D6 P10635 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.53
GFER P55789 1/20 0.53
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.53
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53

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
SCHEMBL5049018 0.87 MCHR1 (0.65) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL8163393 0.86 MCHR1 (0.77) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL8162947 0.82 HIF1A (0.72) MCHR1MEN1KMT2AHIF1ANPC1
SCHEMBL1854758 0.82 MCHR1 (0.52) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL10133038 0.81 MEN1 (0.72) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL13073425 0.81 HDAC2 (0.76) MEN1KMT2ARXFP1HIF1ANPC1
SCHEMBL5039674 0.80 NPC1 (0.68) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL6225807 0.80 MCHR1 (0.71) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL8163396 0.78 HSP90AA1 (0.68) MCHR1MEN1KMT2ARXFP1HIF1A
SCHEMBL6223646 0.78 MCHR1 (0.77) MCHR1MEN1KMT2ARXFP1HIF1A

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 4 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-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed