SCHEMBL9130935

SCHEMBL9130935

CN(C)CCOc1ccccc1NC(=O)c1cccc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
DHPS P49366 2/20 0.47
BRPF1 P55201 1/20 0.46
HSD17B10 Q99714 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
PTPN1 P18031 1/20 0.43
BRD4 O60885 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL9132797 0.92 RXFP1 (0.58) NR4A2RXFP1KMT2AMEN1NPC1
SCHEMBL9131833 0.89 KMT2A (0.47) NR4A2RXFP1KMT2AMEN1NPC1
SCHEMBL9129235 0.86 MEN1 (0.50) KMT2AMEN1NPC1DHPSHSD17B10
SCHEMBL9795045 0.86 HDAC1 (0.50) KMT2AMEN1NPC1DHPSHSD17B10
SCHEMBL9132310 0.86 MEN1 (0.50) KMT2AMEN1NPC1DHPSHSD17B10
SCHEMBL9795192 0.85 HSD17B10 (0.60) RXFP1KMT2AMEN1NPC1DHPS
SCHEMBL9131919 0.85 MEN1 (0.49) KMT2AMEN1NPC1DHPSHSD17B10
SCHEMBL9795043 0.85 HDAC1 (0.52) KMT2AMEN1NPC1DHPSHSD17B10
SCHEMBL9132823 0.83 DHPS (0.50) RXFP1KMT2AMEN1NPC1DHPS
Hydrochloric Acid SCHEMBL9132778 0.82 DHPS (0.49) RXFP1KMT2AMEN1NPC1DHPS

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
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
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US disclosed