SCHEMBL9129299

SCHEMBL9129299

CCC(C)(C)NCCCOc1ccccc1NC(=O)c1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC3 O15379 4/20 0.44
PTPN1 P18031 2/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
HTR1B P28222 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41

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
SCHEMBL9131204 0.93 DHPS (0.47) DHPSMEN1KMT2ANPC1HDAC1
Hydrochloric Acid SCHEMBL9130882 0.90 DHPS (0.48) DHPSMEN1KMT2ANPC1HSD17B10
SCHEMBL9132823 0.88 DHPS (0.50) DHPSMEN1KMT2ANPC1HSD17B10
Hydrochloric Acid SCHEMBL9132778 0.87 DHPS (0.49) DHPSMEN1KMT2ANPC1HSD17B10
SCHEMBL9136237 0.85 DHPS (0.47) DHPSMEN1KMT2ANPC1HDAC1
SCHEMBL10413109 0.84 DHPS (0.47) DHPSMEN1KMT2ANPC1HSD17B10
SCHEMBL9130336 0.83 DHPS (0.50) DHPSMEN1KMT2ANPC1HDAC1
SCHEMBL9130186 0.83 HTR1B (0.60) DHPSMEN1KMT2ANPC1HSD17B10
SCHEMBL10413108 0.83 HTR1B (0.52) DHPSMEN1KMT2ANPC1HSD17B10
SCHEMBL9132310 0.83 MEN1 (0.50) DHPSMEN1KMT2ANPC1HSD17B10

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-5380722-A Antiarrhythmia agents ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US disclosed
US-4908367-A Antiarrythmic agents Uclaf, Roussel (FR) 1990-03-13 US disclosed