SCHEMBL5592307

SCHEMBL5592307

CN1CCN(c2ncccc2CC2NC(C)(C)CN(c3ccc(C(C)(C)C)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
TRPV1 Q8NER1 5/20 0.34
TRPA1 O75762 2/20 0.34
KCNH2 Q12809 2/20 0.34
ELANE P08246 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CHIA Q9BZP6 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5592316 0.85 DRD2 (0.37) HSD11B1KCNH2DRD2DRD3MEN1
SCHEMBL5592191 0.85 HSD11B1 (0.36) HSD11B1TRPV1TRPA1KCNH2ELANE
SCHEMBL5592249 0.84 ELANE (0.34) ELANECHIA
SCHEMBL5166623 0.80 ROCK2 (0.40) HSD11B1TRPV1TRPA1KCNH2ELANE
SCHEMBL5592320 0.79 CHIA (0.39) HSD11B1TRPV1TRPA1KCNH2ELANE
SCHEMBL5165708 0.78 FPR2 (0.40) HSD11B1TRPV1TRPA1KCNH2ELANE
SCHEMBL5163927 0.75 ROCK2 (0.39) TRPV1ELANECHIA
SCHEMBL5163829 0.73 FPR2 (0.41) ELANECHIA
SCHEMBL5167396 0.72 FPR2 (0.43) HSD11B1TRPV1
SCHEMBL5592384 0.71 CHIA (0.35) ELANECHIADRD2DRD3

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-2007057742-A2 NOVEL PIPERAZINONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed