SCHEMBL7963540

SCHEMBL7963540

CN1CCCC1CCNC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ACKR3 P25106 3/20 0.47
CHRM4 P08173 1/20 0.46
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLR1A O95602 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TERT O14746 1/20 0.39
CHRM3 P20309 1/20 0.39
GLS O94925 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL6395379 0.85 ACKR3 (0.51) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL49464 0.85 ACKR3 (0.51) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL9887516 0.83 ACKR3 (0.50) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL4747740 0.83 ALDH1A1 (0.48) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL424247 0.83 ALDH1A1 (0.48) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL4528736 0.83 ALDH1A1 (0.48) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL12156865 0.82 ACKR3 (0.52) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL23354623 0.81 ALDH1A1 (0.46) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL12788561 0.81 ACKR3 (0.46) ALDH1A1ACKR3CHRM4FPR3FPR2
SCHEMBL12155765 0.81 DPP4 (0.46) ALDH1A1ACKR3CHRM4FPR3FPR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed