SCHEMBL10700154

SCHEMBL10700154

NC1CCCCC1NC(=O)c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX12 P18054 1/20 0.50
SYK P43405 1/20 0.48
NPC1 O15118 1/20 0.48
F2R P25116 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL9539183 0.89 MMP2 (0.53) ALDH1A1LMNANPSR1KMT2ANPC1
SCHEMBL1307623 0.82 ALDH1A1 (0.55) ALDH1A1LMNARECQLNPSR1ALPL
SCHEMBL2400105 0.81 SIGMAR1 (0.45) SYKIRAK4MMP2MMP9CA12
SCHEMBL17017323 0.79 HCRTR1 (0.55) ALDH1A1KMT2ANPC1IRAK4CYP1A2
SCHEMBL4116189 0.78 HDAC4 (0.52) NPSR1NPC1MMP2MMP9CA12
SCHEMBL9701078 0.78 HDAC4 (0.52) NPSR1NPC1MMP2MMP9CA12
SCHEMBL4711538 0.78 HDAC4 (0.52) NPSR1NPC1MMP2MMP9CA12
SCHEMBL4760506 0.78 HDAC4 (0.52) NPSR1NPC1MMP2MMP9CA12
SCHEMBL3456445 0.78 ALDH1A1 (0.73) ALDH1A1LMNANPSR1ALPLALPI
Hydrochloric Acid SCHEMBL17007131 0.78 HCRTR1 (0.54) ALDH1A1KMT2ANPC1IRAK4CYP1A2

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
EP-0263208-A2 Antiarrhythmic use of aminocycloalkylamides THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0224566-A1 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1987-06-10 EP disclosed
WO-1986007257-A2 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1986-12-18 WO disclosed