SCHEMBL16728368

SCHEMBL16728368

Cc1nc(N)c(CCC2CCN(C(=O)C(C)C)CC2)c(Cl)n1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.77
FAAH O00519 1/20 0.40
OPRK1 P41145 2/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
RORC P51449 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
SCHEMBL16698876 0.92 MBOAT4 (0.76) MBOAT4OPRK1HSP90AA1HSP90AB1
SCHEMBL19311928 0.92 MBOAT4 (0.76) MBOAT4OPRK1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL16718846 0.91 MBOAT4 (0.74) MBOAT4OPRK1HSP90AA1HSP90AB1
SCHEMBL16728370 0.91 MBOAT4 (0.74) MBOAT4FAAHOPRK1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL19971786 0.91 MBOAT4 (0.74) MBOAT4OPRK1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL16699518 0.91 MBOAT4 (0.74) MBOAT4OPRK1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL19971787 0.91 MBOAT4 (0.74) MBOAT4OPRK1HSP90AA1HSP90AB1
SCHEMBL19971834 0.89 MBOAT4 (0.84) MBOAT4OPRK1
SCHEMBL19971835 0.89 MBOAT4 (0.84) MBOAT4OPRK1
SCHEMBL19971808 0.88 MBOAT4 (0.71) MBOAT4OPRK1HSP90AA1HSP90AB1

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-2015073281-A1 SUBSTITUTED PIPERIDYL-ETHYL-PYRIMIDINE AS GHRELIN O-ACYL TRANSFERASE INHIBITOR ELI LILLY AND COMPANY (US) 2015-05-21 WO disclosed