SCHEMBL7499394

SCHEMBL7499394

CCCN(CCC)C(=O)CNc1nc(-c2ccccc2)nc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
PDE4D Q08499 4/20 0.50
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RXRA P19793 2/20 0.45
NR4A2 P43354 2/20 0.45
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7499282 0.88 PDE4B (0.56) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7498343 0.88 NPSR1 (0.46) PDE4DTSHRKDM4ELMNARXRA
SCHEMBL7498883 0.88 SMN1; SMN2 (0.42) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7500923 0.87 PDE4B (0.47) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7504132 0.86 TSHR (0.41) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7507585 0.79 ALDH1A1 (0.45) PDE4BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7212190 0.79 SMN1; SMN2 (0.46) PDE4BALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7504573 0.79 PDE4B (0.53) PDE4BALDH1A1LMNATP53L3MBTL1
SCHEMBL7505001 0.79 MEN1 (0.53) NPC1RXRARAB9A
SCHEMBL7498088 0.79 NPSR1 (0.47) PDE4BPDE4DTSHRALDH1A1KDM4E

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-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed