SCHEMBL19218107

SCHEMBL19218107

CC(C)(C)OC(=O)N1CCNCC1CCCC(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.46
▸ NAAA Q02083 2/20 0.40
▸ TPSAB1 Q15661 2/20 0.39
▸ TPSD1 Q9BZJ3 2/20 0.39
▸ TPSG1 Q9NRR2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 2/20 0.37
▸ MC4R P32245 1/20 0.34
▸ MC5R P33032 1/20 0.34
▸ CHEK2 O96017 1/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ EPHX1 P07099 1/20 0.32

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
SCHEMBL19217931 0.86 PARP1 (0.48) PARP1NAAATPSAB1TPSD1TPSG1
SCHEMBL19218108 0.84 PARP1 (0.47) PARP1ATM
SCHEMBL31218759 0.81 PARP1 (0.52) PARP1ATMHSD17B10
SCHEMBL18129846 0.80 PARP1 (0.50) PARP1ATM
SCHEMBL5224952 0.80 PARP1 (0.50) PARP1ATM
SCHEMBL9052251 0.80 PARP1 (0.50) PARP1ATMHSD17B10
SCHEMBL5224956 0.80 PARP1 (0.50) PARP1ATM
SCHEMBL16846248 0.80 PARP1 (0.50) PARP1ATMHSD17B10
SCHEMBL30872577 0.79 PARP1 (0.49) PARP1ATM
SCHEMBL6110934 0.79 PARP1 (0.49) PARP1ATM

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
EP-2864318-B1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1R KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2017-08-09 — — EP disclosed
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