SCHEMBL7499282

SCHEMBL7499282

CCCN(CCC)C(=O)CNc1nc(-c2ccccc2)nc(C)c1CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.56
PDE4D Q08499 5/20 0.56
RXRA P19793 4/20 0.56
NR4A2 P43354 4/20 0.56
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 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
SCHEMBL7499394 0.88 PDE4B (0.50) PDE4BPDE4DRXRANR4A2TSHR
SCHEMBL7498883 0.84 SMN1; SMN2 (0.42) PDE4BPDE4DRXRANR4A2TSHR
SCHEMBL7504132 0.80 TSHR (0.41) PDE4BPDE4DRXRANR4A2TSHR
SCHEMBL7503357 0.80 RXRA (0.53) PDE4BPDE4DRXRANR4A2TSHR
SCHEMBL7212190 0.77 SMN1; SMN2 (0.46) PDE4BALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7507585 0.77 ALDH1A1 (0.45) PDE4BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7498343 0.77 NPSR1 (0.46) PDE4DRXRANR4A2TSHRKDM4E
SCHEMBL7504573 0.77 PDE4B (0.53) PDE4BALDH1A1LMNATP53
SCHEMBL7505001 0.77 MEN1 (0.53) RXRANPC1ADORA3RAB9A
SCHEMBL7502926 0.76 SMN1; SMN2 (0.40) PDE4BALDH1A1LMNASMN1; SMN2NPC1

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