SCHEMBL8587243

SCHEMBL8587243

CC(C)CCn1c(N(N)c2nc3c(=O)[nH]c(N)nc3n2CC(C)C)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.44
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
PDE2A O00408 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
HPRT1 P00492 6/20 0.36
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL8344233 0.80 PNP (0.65) PNPHPRT1DHFR
Hydrochloric Acid SCHEMBL8345210 0.79 PNP (0.64) PNPHPRT1DHFR
SCHEMBL8344972 0.77 PNP (0.60) PNPHPRT1KDM4ENPSR1DHFR
Hydrochloric Acid SCHEMBL8341140 0.76 PNP (0.59) PNPHPRT1KDM4ENPSR1DHFR
SCHEMBL10871645 0.66 PNP (0.60) PNPHPRT1
SCHEMBL5503495 0.64 PNP (0.60) PNPHPRT1
SCHEMBL21539481 0.64 PNP (0.48) PNPHPRT1DHFR
SCHEMBL1819880 0.64 PNP (0.48) PNPHPRT1
SCHEMBL10871528 0.64 PNP (0.57) PNPHPRT1
SCHEMBL7200361 0.64 PNP (0.46) PNPHPRT1

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-1998051687-A1 PIPERIDINO DERIVATIVES WHICH PROMOTE GROWTH HORMONE RELEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-19 WO disclosed