SCHEMBL5592285

SCHEMBL5592285

CCOc1ccc(N2CCNC(Cc3cccnc3N3CCN(C)CC3)C2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.35
CHIA Q9BZP6 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
TNK2 Q07912 1/20 0.32
AOC3 Q16853 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL5592291 0.88 BRD9 (0.38) SLC6A2SLC6A4SLC6A3TNK2KDM1A
SCHEMBL5592191 0.82 HSD11B1 (0.36) ELANECHIA
SCHEMBL5592317 0.80 ALDH1A1 (0.37) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL5592384 0.79 CHIA (0.35) ELANECHIACCNT1CDK4CCND1
SCHEMBL5599159 0.79 ELANE (0.35) ELANECHIA
SCHEMBL5808001 0.71 ACACB (0.34) CDK4CCND1CCND3CDK6TNK2
SCHEMBL5592307 0.68 HSD11B1 (0.36) ELANECHIA
SCHEMBL5592320 0.67 CHIA (0.39) ELANECHIA
SCHEMBL25925455 0.67 CHIA (0.58) ELANECHIAHRH4HTR2C
SCHEMBL5166529 0.67 CHIA (0.43) ELANECHIAHRH4

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