SCHEMBL7500923

SCHEMBL7500923

CCCN(C(=O)CNc1nc(-c2ccccc2)nc(C)c1C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.47
PDE4D Q08499 4/20 0.47
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RXRA P19793 3/20 0.43
NR4A2 P43354 2/20 0.43
TP53 P04637 3/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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 0.87 PDE4B (0.50) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7502363 0.84 PDE10A (0.47) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7496409 0.78 KDM4E (0.44) TSHRALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7502894 0.77 PDE10A (0.48) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7493675 0.77 PDE4B (0.46) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7498883 0.76 SMN1; SMN2 (0.42) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7498343 0.76 NPSR1 (0.46) PDE4DTSHRKDM4ELMNARXRA
SCHEMBL7499282 0.76 PDE4B (0.56) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7504132 0.75 TSHR (0.41) PDE4BPDE4DTSHRALDH1A1KDM4E
SCHEMBL7507216 0.74 PDE4B (0.46) 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 6 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 claimed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US claimed
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 claimed
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